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

Systemtic Name: propan-2-yl 5-[8-(4-carbamimidoylphenyl)-3,9-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]pentanoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C22H28N6O4 MolecularWeight: 440.49552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CCCCN1C(=O)C2=C(N(C(=N2)C3=CC=C(C=C3)C(=N)N)C)N(C1=O)C

Isomeric SMILES

CC(C)OC(=O)CCCCN1C(=O)C2=C(N(C(=N2)C3=CC=C(C=C3)C(=N)N)C)N(C1=O)C

InChI

InChI=1S/C22H28N6O4/c1-13(2)32-16(29)7-5-6-12-28-21(30)17-20(27(4)22(28)31)26(3)19(25-17)15-10-8-14(9-11-15)18(23)24/h8-11,13H,5-7,12H2,1-4H3,(H3,23,24)