5-[8-(4-carbamimidoylphenyl)-3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]pentanoic acid

Systemtic Name: 5-[8-(4-carbamimidoylphenyl)-3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]pentanoic acid Openeye Name: 5-[8-(4-carbamimidoylphenyl)-3,7-dimethyl-2,6-dioxo-purin-1-yl]pentanoic acid CAS Name: 5-[8-(4-carbamimidoylphenyl)-3,7-dimethyl-2,6-dioxo-1-purinyl]pentanoic acid IUPAC Name: 5-[8-(4-carbamimidoylphenyl)-3,7-dimethyl-2,6-dioxopurin-1-yl]pentanoic acid Traditional Name: 5-[8-(4-amidinophenyl)-2,6-diketo-3,7-dimethyl-purin-1-yl]valeric acid Formula: C19H22N6O4 MolecularWeight: 398.41578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C3=CC=C(C=C3)C(=N)N)N(C(=O)N(C2=O)CCCCC(=O)O)C

Isomeric SMILES

CN1C2=C(N=C1C3=CC=C(C=C3)C(=N)N)N(C(=O)N(C2=O)CCCCC(=O)O)C

InChI

InChI=1S/C19H22N6O4/c1-23-14-17(22-16(23)12-8-6-11(7-9-12)15(20)21)24(2)19(29)25(18(14)28)10-4-3-5-13(26)27/h6-9H,3-5,10H2,1-2H3,(H3,20,21)(H,26,27)