8-chloranyl-1,3-dimethyl-7-[(3-methylpiperidin-1-yl)methyl]purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[(3-methylpiperidin-1-yl)methyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[(3-methyl-1-piperidyl)methyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[(3-methyl-1-piperidinyl)methyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[(3-methylpiperidin-1-yl)methyl]purine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-[(3-methylpiperidino)methyl]xanthine Formula: C14H20ClN5O2 MolecularWeight: 325.7939

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1CCCN(C1)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C14H20ClN5O2/c1-9-5-4-6-19(7-9)8-20-10-11(16-13(20)15)17(2)14(22)18(3)12(10)21/h9H,4-8H2,1-3H3