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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[(2-methylnaphthalen-1-yl)methyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[(2-methyl-1-naphthyl)methyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[(2-methyl-1-naphthalenyl)methyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[(2-methylnaphthalen-1-yl)methyl]purine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-[(2-methyl-1-naphthyl)methyl]xanthine Formula: C19H17ClN4O2 MolecularWeight: 368.81688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C=C1)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2C=C1)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C

InChI

InChI=1S/C19H17ClN4O2/c1-11-8-9-12-6-4-5-7-13(12)14(11)10-24-15-16(21-18(24)20)22(2)19(26)23(3)17(15)25/h4-9H,10H2,1-3H3