8-[(2-chlorophenyl)methylamino]-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione

Systemtic Name: 8-[(2-chlorophenyl)methylamino]-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 8-[(2-chlorophenyl)methylamino]-3-methyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 8-[(2-chlorophenyl)methylamino]-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 8-[(2-chlorophenyl)methylamino]-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 8-[(2-chlorobenzyl)amino]-3-methyl-7-(2-methylallyl)xanthine Formula: C17H18ClN5O2 MolecularWeight: 359.81012

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1NCC3=CC=CC=C3Cl)N(C(=O)NC2=O)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1NCC3=CC=CC=C3Cl)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H18ClN5O2/c1-10(2)9-23-13-14(22(3)17(25)21-15(13)24)20-16(23)19-8-11-6-4-5-7-12(11)18/h4-7H,1,8-9H2,2-3H3,(H,19,20)(H,21,24,25)