8-(azepan-1-yl)-7-[(2-chlorophenyl)methyl]-1-methyl-3H-purine-2,6-dione

Systemtic Name: 8-(azepan-1-yl)-7-[(2-chlorophenyl)methyl]-1-methyl-3H-purine-2,6-dione Openeye Name: 8-(azepan-1-yl)-7-[(2-chlorophenyl)methyl]-1-methyl-3H-purine-2,6-dione CAS Name: 8-(1-azepanyl)-7-[(2-chlorophenyl)methyl]-1-methyl-3H-purine-2,6-dione IUPAC Name: 8-(azepan-1-yl)-7-[(2-chlorophenyl)methyl]-1-methyl-3H-purine-2,6-dione Traditional Name: 8-(azepan-1-yl)-7-(2-chlorobenzyl)-1-methyl-xanthine Formula: C19H22ClN5O2 MolecularWeight: 387.86328

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(NC1=O)N=C(N2CC3=CC=CC=C3Cl)N4CCCCCC4

Isomeric SMILES

CN1C(=O)C2=C(NC1=O)N=C(N2CC3=CC=CC=C3Cl)N4CCCCCC4

InChI

InChI=1S/C19H22ClN5O2/c1-23-17(26)15-16(22-19(23)27)21-18(24-10-6-2-3-7-11-24)25(15)12-13-8-4-5-9-14(13)20/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,22,27)