1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 8-allyl-1,7-dimethyl-

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Basic information

CAS: 85592-06-9
Standard SMILES: C=CCn1c(C)cn2c3c(=O)[nH]c(=O)n(C)c3nc12
InChIKey: DGPFMXPLAMFWKP-UHFFFAOYSA-N
Molecular formula: C12H13N5O2
Average molar mass: 259.26 g/mol
Monoisotopic mass: 259.10692467

Names & identifiers

Preferred name: 1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 8-allyl-1,7-dimethyl-
IUPAC: 4,7-dimethyl-6-prop-2-enylpurino[7,8-a]imidazole-1,3-dione

Names & synonyms

85592-06-91H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 8-allyl-1,7-dimethyl-8-Allyl-1,7-dimethyl-1H-imidazo(2,1-f)purine-2,4(3H,8H)-dione1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 1,7-dimethyl-8-(2-propenyl)-8-Allyl-1,7-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dioneRefChem:2378404-hydroxy-1,7-dimethyl-8-(prop-2-en-1-yl)-1H-imidazo[2,1-f]purin-2(8H)-one1,7-dimethyl-8-prop-2-enyl-1,3,5-trihydro-4-imidazolino[1,2-h]purine-2,4-dione4,7-dimethyl-6-prop-2-enylpurino[7,8-a]imidazole-1,3-dioneDTXSID301006173SBB084642STK579099

Show more names

AKOS001382228AKOS005503190UPCMLD0ENAT5796555:001ST51075770AB00987256-01Z237376132

Database identifiers

CAS: 85592-06-9
PubChem CID: 3069972
DTXSID: DTXSID301006173
Nikkaji: J62.594I

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 71.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 440

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Compound notes

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