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

Systemtic Name: 5-[8-(4-carbamimidoylphenyl)-9-cyclopropyl-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]pentanoic acid Openeye Name: 5-[8-(4-carbamimidoylphenyl)-9-cyclopropyl-3-methyl-2,6-dioxo-purin-1-yl]pentanoic acid CAS Name: 5-[8-(4-carbamimidoylphenyl)-9-cyclopropyl-3-methyl-2,6-dioxo-1-purinyl]pentanoic acid IUPAC Name: 5-[8-(4-carbamimidoylphenyl)-9-cyclopropyl-3-methyl-2,6-dioxopurin-1-yl]pentanoic acid Traditional Name: 5-[8-(4-amidinophenyl)-9-cyclopropyl-2,6-diketo-3-methyl-purin-1-yl]valeric acid Formula: C21H24N6O4 MolecularWeight: 424.45306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O4/c1-25-19-16(20(30)26(21(25)31)11-3-2-4-15(28)29)24-18(27(19)14-9-10-14)13-7-5-12(6-8-13)17(22)23/h5-8,14H,2-4,9-11H2,1H3,(H3,22,23)(H,28,29)