1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 8-butyl-1-methyl-7-phenyl-

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Basic information

CAS: 85592-05-8
Standard SMILES: CCCCn1c(-c2ccccc2)cn2c3c(=O)[nH]c(=O)n(C)c3nc12
InChIKey: WFEZMDMNDVDXDW-UHFFFAOYSA-N
Molecular formula: C18H19N5O2
Average molar mass: 337.4 g/mol
Monoisotopic mass: 337.15387487

Names & identifiers

Preferred name: 1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 8-butyl-1-methyl-7-phenyl-
IUPAC: 6-butyl-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione

Names & synonyms

8-butyl-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione85592-05-88-Butyl-1-methyl-7-phenyl-1H-imidazo(2,1-f)purine-2,4(3H,8H)-dione1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 8-butyl-1-methyl-7-phenyl-RefChem:237844CHEMBL271967Oprea1_695485SCHEMBL1480546WFEZMDMNDVDXDW-UHFFFAOYSA-NDTXSID601006172BDBM50374167EBC-08555

Show more names

STK5498158-butyl-1-methyl-7-phenyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dioneAKOS005477825EN300-18211725Z567662368-Butyl-4-hydroxy-1-methyl-7-phenyl-1H-imidazo[2,1-f]purin-2(8H)-one

Database identifiers

CAS: 85592-05-8
PubChem CID: 3069971
DTXSID: DTXSID601006172
ChEMBL: CHEMBL271967
Nikkaji: J62.596E

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 71.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 25
Formal charge: 0
Complexity: 536

Related reactions

1 records

New reaction record

HRID 1616104As reactantuspto-grants-2014_07

Compound notes

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