8-(2-azanyl-4-chloranyl-phenyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione

Systemtic Name: 8-(2-azanyl-4-chloranyl-phenyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Openeye Name: 8-(2-amino-4-chloro-phenyl)-3-isobutyl-1-methyl-7H-purine-2,6-dione CAS Name: 8-(2-amino-4-chlorophenyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 8-(2-amino-4-chlorophenyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 8-(2-amino-4-chloro-phenyl)-3-isobutyl-1-methyl-7H-purine-2,6-quinone Formula: C16H18ClN5O2 MolecularWeight: 347.79942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=C(C=C(C=C3)Cl)N

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=C(C=C(C=C3)Cl)N

InChI

InChI=1S/C16H18ClN5O2/c1-8(2)7-22-14-12(15(23)21(3)16(22)24)19-13(20-14)10-5-4-9(17)6-11(10)18/h4-6,8H,7,18H2,1-3H3,(H,19,20)