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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)C

InChI

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