Einecs 303-683-6

HCID 44152002

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Basic information

CAS: 94201-92-0
Standard SMILES: Cn1c(=O)c2[nH]cnc2n(C)c1=O.O=C1CC[C@@H](C(=O)O)N1
InChIKey: KRQKQCIGPPVIOK-HVDRVSQOSA-N
Molecular formula: C12H15N5O5
Average molar mass: 309.28 g/mol
Monoisotopic mass: 309.1073186

Names & identifiers

Preferred name: Einecs 303-683-6
IUPAC: 1,3-dimethyl-7H-purine-2,6-dione;(2S)-5-oxopyrrolidine-2-carboxylic acid

Names & synonyms

EINECS 303-683-694201-92-05-Oxo-L-proline, compound with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (1:1)DTXSID80241030NS000931705-Oxo-L-proline--1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (1/1)

Database identifiers

CAS: 94201-92-0
PubChem CID: 44152002
DTXSID: DTXSID80241030
EC Number: 303-683-6

Properties

Computed structural properties

Topological polar surface area: 136 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 22
Formal charge: 0
Complexity: 422

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