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

Systemtic Name: methyl 5-[8-(4-carbamimidoylphenyl)-9-cyclopropyl-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]pentanoate Openeye Name: methyl 5-[8-(4-carbamimidoylphenyl)-9-cyclopropyl-3-methyl-2,6-dioxo-purin-1-yl]pentanoate CAS Name: 5-[8-(4-carbamimidoylphenyl)-9-cyclopropyl-3-methyl-2,6-dioxo-1-purinyl]pentanoic acid methyl ester IUPAC Name: methyl 5-[8-(4-carbamimidoylphenyl)-9-cyclopropyl-3-methyl-2,6-dioxopurin-1-yl]pentanoate Traditional Name: 5-[8-(4-amidinophenyl)-9-cyclopropyl-2,6-diketo-3-methyl-purin-1-yl]valeric acid methyl ester Formula: C22H26N6O4 MolecularWeight: 438.47964

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCCCC(=O)OC)N=C(N2C3CC3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCCCC(=O)OC)N=C(N2C3CC3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C22H26N6O4/c1-26-20-17(21(30)27(22(26)31)12-4-3-5-16(29)32-2)25-19(28(20)15-10-11-15)14-8-6-13(7-9-14)18(23)24/h6-9,15H,3-5,10-12H2,1-2H3,(H3,23,24)