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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCCCC2=CNC3=C2C(=O)N=C(N3)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCCCC2=CNC3=C2C(=O)N=C(N3)N

InChI

InChI=1S/C18H20N4O3/c1-25-17(24)12-8-6-11(7-9-12)4-2-3-5-13-10-20-15-14(13)16(23)22-18(19)21-15/h6-10H,2-5H2,1H3,(H4,19,20,21,22,23)