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

Systemtic Name: methyl 5-[8-(4-carbamimidoylphenyl)-9-methyl-2,6-bis(oxidanylidene)-3H-purin-1-yl]pentanoate Openeye Name: methyl 5-[8-(4-carbamimidoylphenyl)-9-methyl-2,6-dioxo-3H-purin-1-yl]pentanoate CAS Name: 5-[8-(4-carbamimidoylphenyl)-9-methyl-2,6-dioxo-3H-purin-1-yl]pentanoic acid methyl ester IUPAC Name: methyl 5-[8-(4-carbamimidoylphenyl)-9-methyl-2,6-dioxo-3H-purin-1-yl]pentanoate Traditional Name: 5-[8-(4-amidinophenyl)-2,6-diketo-9-methyl-3H-purin-1-yl]valeric acid methyl ester Formula: C19H22N6O4 MolecularWeight: 398.41578

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=O)N2)CCCCC(=O)OC)N=C1C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2)CCCCC(=O)OC)N=C1C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H22N6O4/c1-24-16(12-8-6-11(7-9-12)15(20)21)22-14-17(24)23-19(28)25(18(14)27)10-4-3-5-13(26)29-2/h6-9H,3-5,10H2,1-2H3,(H3,20,21)(H,23,28)