8-chloranyl-1,3-dimethyl-7-[(4-propan-2-ylphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[(4-propan-2-ylphenyl)methyl]purine-2,6-dione Openeye Name: 8-chloro-7-[(4-isopropylphenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[(4-propan-2-ylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[(4-propan-2-ylphenyl)methyl]purine-2,6-dione Traditional Name: 8-chloro-7-(4-isopropylbenzyl)-1,3-dimethyl-xanthine Formula: C17H19ClN4O2 MolecularWeight: 346.81136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN4O2/c1-10(2)12-7-5-11(6-8-12)9-22-13-14(19-16(22)18)20(3)17(24)21(4)15(13)23/h5-8,10H,9H2,1-4H3