ethyl 5-[8-(4-carbamimidoylphenyl)-3,9-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]pentanoate

Systemtic Name: ethyl 5-[8-(4-carbamimidoylphenyl)-3,9-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]pentanoate Openeye Name: ethyl 5-[8-(4-carbamimidoylphenyl)-3,9-dimethyl-2,6-dioxo-purin-1-yl]pentanoate CAS Name: 5-[8-(4-carbamimidoylphenyl)-3,9-dimethyl-2,6-dioxo-1-purinyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[8-(4-carbamimidoylphenyl)-3,9-dimethyl-2,6-dioxopurin-1-yl]pentanoate Traditional Name: 5-[8-(4-amidinophenyl)-2,6-diketo-3,9-dimethyl-purin-1-yl]valeric acid ethyl ester Formula: C21H26N6O4 MolecularWeight: 426.46894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCN1C(=O)C2=C(N(C(=N2)C3=CC=C(C=C3)C(=N)N)C)N(C1=O)C

Isomeric SMILES

CCOC(=O)CCCCN1C(=O)C2=C(N(C(=N2)C3=CC=C(C=C3)C(=N)N)C)N(C1=O)C

InChI

InChI=1S/C21H26N6O4/c1-4-31-15(28)7-5-6-12-27-20(29)16-19(26(3)21(27)30)25(2)18(24-16)14-10-8-13(9-11-14)17(22)23/h8-11H,4-7,12H2,1-3H3,(H3,22,23)