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

Systemtic Name: 5-[8-(4-carbamimidoylphenyl)-9-methyl-2,6-bis(oxidanylidene)-3H-purin-1-yl]pentanoic acid Openeye Name: 5-[8-(4-carbamimidoylphenyl)-9-methyl-2,6-dioxo-3H-purin-1-yl]pentanoic acid CAS Name: 5-[8-(4-carbamimidoylphenyl)-9-methyl-2,6-dioxo-3H-purin-1-yl]pentanoic acid IUPAC Name: 5-[8-(4-carbamimidoylphenyl)-9-methyl-2,6-dioxo-3H-purin-1-yl]pentanoic acid Traditional Name: 5-[8-(4-amidinophenyl)-2,6-diketo-9-methyl-3H-purin-1-yl]valeric acid Formula: C18H20N6O4 MolecularWeight: 384.3892

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=O)N2)CCCCC(=O)O)N=C1C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2)CCCCC(=O)O)N=C1C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C18H20N6O4/c1-23-15(11-7-5-10(6-8-11)14(19)20)21-13-16(23)22-18(28)24(17(13)27)9-3-2-4-12(25)26/h5-8H,2-4,9H2,1H3,(H3,19,20)(H,22,28)(H,25,26)