9-(3-chloranyl-4-methyl-phenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

Systemtic Name: 9-(3-chloranyl-4-methyl-phenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 9-(3-chloro-4-methyl-phenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 9-(3-chloro-4-methylphenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-(3-chloro-4-methylphenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 9-(3-chloro-4-methyl-phenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C17H18ClN5O2 MolecularWeight: 359.81012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)C)Cl

InChI

InChI=1S/C17H18ClN5O2/c1-10-5-6-11(9-12(10)18)22-7-4-8-23-13-14(19-16(22)23)20(2)17(25)21(3)15(13)24/h5-6,9H,4,7-8H2,1-3H3