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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCN1C(=O)C2=C(N(C(=N2)C3=CC=C(C=C3)C(=N)N)C)N(C1=O)C)C(=O)OC

Isomeric SMILES

CC(CCCN1C(=O)C2=C(N(C(=N2)C3=CC=C(C=C3)C(=N)N)C)N(C1=O)C)C(=O)OC

InChI

InChI=1S/C21H26N6O4/c1-12(20(29)31-4)6-5-11-27-19(28)15-18(26(3)21(27)30)25(2)17(24-15)14-9-7-13(8-10-14)16(22)23/h7-10,12H,5-6,11H2,1-4H3,(H3,22,23)