5-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]isophthalic acid Formula: C24H29N7O4 MolecularWeight: 479.53156

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC(=CC(=C4)C(=O)O)C(=O)O)NC5CCC(CC5)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC(=CC(=C4)C(=O)O)C(=O)O)NC5CCC(CC5)N

InChI

InChI=1S/C24H29N7O4/c25-15-5-7-16(8-6-15)28-24-29-20(19-21(30-24)31(12-26-19)18-3-1-2-4-18)27-17-10-13(22(32)33)9-14(11-17)23(34)35/h9-12,15-16,18H,1-8,25H2,(H,32,33)(H,34,35)(H2,27,28,29,30)