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

Systemtic Name: 7-[(2-chlorophenyl)methyl]-8-[2-hydroxyethyl(methyl)amino]-3-methyl-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-8-[2-hydroxyethyl(methyl)amino]-3-methyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-8-[2-hydroxyethyl(methyl)amino]-3-methylpurine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-8-[2-hydroxyethyl(methyl)amino]-3-methylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-8-[2-hydroxyethyl(methyl)amino]-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)N(C)CCO)CC3=CC=CC=C3Cl

Isomeric SMILES

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

InChI

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