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

Systemtic Name: methyl 5-[8-(4-carbamimidoylphenyl)-9-cyclohexyl-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]pentanoate Openeye Name: methyl 5-[8-(4-carbamimidoylphenyl)-9-cyclohexyl-3-methyl-2,6-dioxo-purin-1-yl]pentanoate CAS Name: 5-[8-(4-carbamimidoylphenyl)-9-cyclohexyl-3-methyl-2,6-dioxo-1-purinyl]pentanoic acid methyl ester IUPAC Name: methyl 5-[8-(4-carbamimidoylphenyl)-9-cyclohexyl-3-methyl-2,6-dioxopurin-1-yl]pentanoate Traditional Name: 5-[8-(4-amidinophenyl)-9-cyclohexyl-2,6-diketo-3-methyl-purin-1-yl]valeric acid methyl ester Formula: C25H32N6O4 MolecularWeight: 480.55938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCCCC(=O)OC)N=C(N2C3CCCCC3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCCCC(=O)OC)N=C(N2C3CCCCC3)C4=CC=C(C=C4)C(=N)N

InChI

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