methyl 5-[8-(4-carbamimidoylphenyl)-3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]pentanoate

Systemtic Name: methyl 5-[8-(4-carbamimidoylphenyl)-3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]pentanoate Openeye Name: methyl 5-[8-(4-carbamimidoylphenyl)-3,7-dimethyl-2,6-dioxo-purin-1-yl]pentanoate CAS Name: 5-[8-(4-carbamimidoylphenyl)-3,7-dimethyl-2,6-dioxo-1-purinyl]pentanoic acid methyl ester IUPAC Name: methyl 5-[8-(4-carbamimidoylphenyl)-3,7-dimethyl-2,6-dioxopurin-1-yl]pentanoate Traditional Name: 5-[8-(4-amidinophenyl)-2,6-diketo-3,7-dimethyl-purin-1-yl]valeric acid methyl ester Formula: C20H24N6O4 MolecularWeight: 412.44236

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C3=CC=C(C=C3)C(=N)N)N(C(=O)N(C2=O)CCCCC(=O)OC)C

Isomeric SMILES

CN1C2=C(N=C1C3=CC=C(C=C3)C(=N)N)N(C(=O)N(C2=O)CCCCC(=O)OC)C

InChI

InChI=1S/C20H24N6O4/c1-24-15-18(23-17(24)13-9-7-12(8-10-13)16(21)22)25(2)20(29)26(19(15)28)11-5-4-6-14(27)30-3/h7-10H,4-6,11H2,1-3H3,(H3,21,22)