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

Systemtic Name: methyl 5-[3-butyl-8-(4-carbamimidoylphenyl)-9-methyl-2,6-bis(oxidanylidene)purin-1-yl]pentanoate Openeye Name: methyl 5-[3-butyl-8-(4-carbamimidoylphenyl)-9-methyl-2,6-dioxo-purin-1-yl]pentanoate CAS Name: 5-[3-butyl-8-(4-carbamimidoylphenyl)-9-methyl-2,6-dioxo-1-purinyl]pentanoic acid methyl ester IUPAC Name: methyl 5-[3-butyl-8-(4-carbamimidoylphenyl)-9-methyl-2,6-dioxopurin-1-yl]pentanoate Traditional Name: 5-[8-(4-amidinophenyl)-3-butyl-2,6-diketo-9-methyl-purin-1-yl]valeric acid methyl ester Formula: C23H30N6O4 MolecularWeight: 454.5221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCCC(=O)OC)N=C(N2C)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCCC(=O)OC)N=C(N2C)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H30N6O4/c1-4-5-13-28-21-18(22(31)29(23(28)32)14-7-6-8-17(30)33-3)26-20(27(21)2)16-11-9-15(10-12-16)19(24)25/h9-12H,4-8,13-14H2,1-3H3,(H3,24,25)