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

Systemtic Name: cyclohexyl 5-[8-(4-carbamimidoylphenyl)-3,9-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]pentanoate Openeye Name: cyclohexyl 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 cyclohexyl ester IUPAC Name: cyclohexyl 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 cyclohexyl ester Formula: C25H32N6O4 MolecularWeight: 480.55938

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=O)N2C)CCCCC(=O)OC3CCCCC3)N=C1C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2C)CCCCC(=O)OC3CCCCC3)N=C1C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H32N6O4/c1-29-22(17-13-11-16(12-14-17)21(26)27)28-20-23(29)30(2)25(34)31(24(20)33)15-7-6-10-19(32)35-18-8-4-3-5-9-18/h11-14,18H,3-10,15H2,1-2H3,(H3,26,27)