8-[(2-chlorophenyl)methylamino]-1,3-dimethyl-7H-purine-2,6-dione; ethanoic acid

Systemtic Name: 8-[(2-chlorophenyl)methylamino]-1,3-dimethyl-7H-purine-2,6-dione; ethanoic acid Openeye Name: acetic acid; 8-[(2-chlorophenyl)methylamino]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: acetic acid; 8-[(2-chlorophenyl)methylamino]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: acetic acid; 8-[(2-chlorophenyl)methylamino]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: acetic acid; 8-[(2-chlorobenzyl)amino]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C16H18ClN5O4 MolecularWeight: 379.79822

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NCC3=CC=CC=C3Cl

Isomeric SMILES

CC(=O)O.CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NCC3=CC=CC=C3Cl

InChI

InChI=1S/C14H14ClN5O2.C2H4O2/c1-19-11-10(12(21)20(2)14(19)22)17-13(18-11)16-7-8-5-3-4-6-9(8)15;1-2(3)4/h3-6H,7H2,1-2H3,(H2,16,17,18);1H3,(H,3,4)