(4-cyanophenyl)methyl 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoate

Systemtic Name: (4-cyanophenyl)methyl 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoate Openeye Name: (4-cyanophenyl)methyl 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanoate CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)butanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanoate Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butyric acid (4-cyanobenzyl) ester Formula: C19H19N5O4 MolecularWeight: 381.38526

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H19N5O4/c1-22-17-16(18(26)23(2)19(22)27)24(12-21-17)9-3-4-15(25)28-11-14-7-5-13(10-20)6-8-14/h5-8,12H,3-4,9,11H2,1-2H3