8-chloranyl-1,3-dimethyl-7-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C

InChI

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