8-(3-bromanyl-5-methyl-pyrazol-1-yl)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-(3-bromanyl-5-methyl-pyrazol-1-yl)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(3-bromo-5-methyl-pyrazol-1-yl)-1,3-dimethyl-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 8-(3-bromo-5-methyl-1-pyrazolyl)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(3-bromo-5-methylpyrazol-1-yl)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(3-bromo-5-methyl-pyrazol-1-yl)-1,3-dimethyl-7-(3-methylbenzyl)xanthine Formula: C19H19BrN6O2 MolecularWeight: 443.29716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2N4C(=CC(=N4)Br)C)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2N4C(=CC(=N4)Br)C)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C19H19BrN6O2/c1-11-6-5-7-13(8-11)10-25-15-16(23(3)19(28)24(4)17(15)27)21-18(25)26-12(2)9-14(20)22-26/h5-9H,10H2,1-4H3