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

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

CC1CN(C2=NC3=C(N2C1)C(=O)NC(=O)N3C)C4=C(C(=CC=C4)Cl)C

Isomeric SMILES

CC1CN(C2=NC3=C(N2C1)C(=O)NC(=O)N3C)C4=C(C(=CC=C4)Cl)C

InChI

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