ethyl 4-[2-(2-azanyl-6-methyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate

Systemtic Name: ethyl 4-[2-(2-azanyl-6-methyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate Openeye Name: ethyl 4-[2-(2-amino-6-methyl-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate CAS Name: 4-[2-(2-amino-6-methyl-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-amino-6-methyl-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate Traditional Name: 4-[2-(2-amino-4-keto-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid ethyl ester Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CCC2=C(NC3=C2C(=O)N=C(N3)N)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CCC2=C(NC3=C2C(=O)N=C(N3)N)C

InChI

InChI=1S/C18H20N4O3/c1-3-25-17(24)12-7-4-11(5-8-12)6-9-13-10(2)20-15-14(13)16(23)22-18(19)21-15/h4-5,7-8H,3,6,9H2,1-2H3,(H4,19,20,21,22,23)