8-chloranyl-1,3-dimethyl-7-[(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl]purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[(9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[(9-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]purine-2,6-dione Traditional Name: 8-chloro-7-[(4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-dimethyl-xanthine Formula: C17H15ClN6O3 MolecularWeight: 386.7924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=CC2=O)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C

InChI

InChI=1S/C17H15ClN6O3/c1-9-5-4-6-23-11(25)7-10(19-13(9)23)8-24-12-14(20-16(24)18)21(2)17(27)22(3)15(12)26/h4-7H,8H2,1-3H3