8-(cycloheptylamino)-1,3-dimethyl-7-[[4-(methylamino)phenyl]methyl]purine-2,6-dione

Systemtic Name: 8-(cycloheptylamino)-1,3-dimethyl-7-[[4-(methylamino)phenyl]methyl]purine-2,6-dione Openeye Name: 8-(cycloheptylamino)-1,3-dimethyl-7-[[4-(methylamino)phenyl]methyl]purine-2,6-dione CAS Name: 8-(cycloheptylamino)-1,3-dimethyl-7-[[4-(methylamino)phenyl]methyl]purine-2,6-dione IUPAC Name: 8-(cycloheptylamino)-1,3-dimethyl-7-[[4-(methylamino)phenyl]methyl]purine-2,6-dione Traditional Name: 8-(cycloheptylamino)-1,3-dimethyl-7-[4-(methylamino)benzyl]xanthine Formula: C22H30N6O2 MolecularWeight: 410.5126

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=C(C=C1)CN2C3=C(N=C2NC4CCCCCC4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CNC1=CC=C(C=C1)CN2C3=C(N=C2NC4CCCCCC4)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C22H30N6O2/c1-23-16-12-10-15(11-13-16)14-28-18-19(26(2)22(30)27(3)20(18)29)25-21(28)24-17-8-6-4-5-7-9-17/h10-13,17,23H,4-9,14H2,1-3H3,(H,24,25)