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

Systemtic Name: methyl 4-[2-(2-azanyl-6-methyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)NC(=NC2=O)N)CCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C2=C(N1)NC(=NC2=O)N)CCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C17H18N4O3/c1-9-12(13-14(19-9)20-17(18)21-15(13)22)8-5-10-3-6-11(7-4-10)16(23)24-2/h3-4,6-7H,5,8H2,1-2H3,(H4,18,19,20,21,22)