ethyl 4-[[2-(methoxycarbonylamino)-6-methyl-4-oxidanylidene-1H-pyrrolo[3,2-d]pyrimidin-5-yl]methyl]benzoate

Systemtic Name: ethyl 4-[[2-(methoxycarbonylamino)-6-methyl-4-oxidanylidene-1H-pyrrolo[3,2-d]pyrimidin-5-yl]methyl]benzoate Openeye Name: ethyl 4-[[2-(methoxycarbonylamino)-6-methyl-4-oxo-1H-pyrrolo[3,2-d]pyrimidin-5-yl]methyl]benzoate CAS Name: 4-[[2-(methoxycarbonylamino)-6-methyl-4-oxo-1H-pyrrolo[3,2-d]pyrimidin-5-yl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(methoxycarbonylamino)-6-methyl-4-oxo-1H-pyrrolo[3,2-d]pyrimidin-5-yl]methyl]benzoate Traditional Name: 4-[[2-(carbomethoxyamino)-4-keto-6-methyl-1H-pyrrolo[3,2-d]pyrimidin-5-yl]methyl]benzoic acid ethyl ester Formula: C19H20N4O5 MolecularWeight: 384.3859

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CN2C(=CC3=C2C(=O)N=C(N3)NC(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN2C(=CC3=C2C(=O)N=C(N3)NC(=O)OC)C

InChI

InChI=1S/C19H20N4O5/c1-4-28-17(25)13-7-5-12(6-8-13)10-23-11(2)9-14-15(23)16(24)21-18(20-14)22-19(26)27-3/h5-9H,4,10H2,1-3H3,(H2,20,21,22,24,26)