7-[(2-chlorophenyl)methyl]-3-methyl-8-(3-oxidanylpropylamino)purine-2,6-dione

Systemtic Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(3-oxidanylpropylamino)purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-8-(3-hydroxypropylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-8-(3-hydroxypropylamino)-3-methyl-xanthine Formula: C16H18ClN5O3 MolecularWeight: 363.79882

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCO)CC3=CC=CC=C3Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCO)CC3=CC=CC=C3Cl

InChI

InChI=1S/C16H18ClN5O3/c1-21-13-12(14(24)20-16(21)25)22(15(19-13)18-7-4-8-23)9-10-5-2-3-6-11(10)17/h2-3,5-6,23H,4,7-9H2,1H3,(H,18,19)(H,20,24,25)