7-[(4-chlorophenyl)methyl]-3-methyl-8-(3-oxidanylpropylamino)purine-2,6-dione

Systemtic Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-(3-oxidanylpropylamino)purine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-8-(3-hydroxypropylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione Traditional Name: 7-(4-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=C(C=C3)Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCO)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H18ClN5O3/c1-21-13-12(14(24)20-16(21)25)22(15(19-13)18-7-2-8-23)9-10-3-5-11(17)6-4-10/h3-6,23H,2,7-9H2,1H3,(H,18,19)(H,20,24,25)