8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-(3-phenylpropyl)xanthine Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2CCCC4=CC=CC=C4)C(=O)NC(=O)N3C)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2CCCC4=CC=CC=C4)C(=O)NC(=O)N3C)C

InChI

InChI=1S/C20H22N6O2/c1-13-12-14(2)26(23-13)19-21-17-16(18(27)22-20(28)24(17)3)25(19)11-7-10-15-8-5-4-6-9-15/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,22,27,28)