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

Systemtic Name: 5-[8-(4-carbamimidoylphenyl)-3,9-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-2-methyl-pentanoic acid Openeye Name: 5-[8-(4-carbamimidoylphenyl)-3,9-dimethyl-2,6-dioxo-purin-1-yl]-2-methyl-pentanoic acid CAS Name: 5-[8-(4-carbamimidoylphenyl)-3,9-dimethyl-2,6-dioxo-1-purinyl]-2-methylpentanoic acid IUPAC Name: 5-[8-(4-carbamimidoylphenyl)-3,9-dimethyl-2,6-dioxopurin-1-yl]-2-methylpentanoic acid Traditional Name: 5-[8-(4-amidinophenyl)-2,6-diketo-3,9-dimethyl-purin-1-yl]-2-methyl-valeric acid Formula: C20H24N6O4 MolecularWeight: 412.44236

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCN1C(=O)C2=C(N(C(=N2)C3=CC=C(C=C3)C(=N)N)C)N(C1=O)C)C(=O)O

Isomeric SMILES

CC(CCCN1C(=O)C2=C(N(C(=N2)C3=CC=C(C=C3)C(=N)N)C)N(C1=O)C)C(=O)O

InChI

InChI=1S/C20H24N6O4/c1-11(19(28)29)5-4-10-26-18(27)14-17(25(3)20(26)30)24(2)16(23-14)13-8-6-12(7-9-13)15(21)22/h6-9,11H,4-5,10H2,1-3H3,(H3,21,22)(H,28,29)