3,7-dimethyl-1-(3-phenylpropyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(3-phenylpropyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 3,7-dimethyl-1-(3-phenylpropyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 3,7-dimethyl-1-(3-phenylpropyl)-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-(3-phenylpropyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 3,7-dimethyl-1-(3-phenylpropyl)-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C22H26N6O2 MolecularWeight: 406.48084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(N=C1C)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CCCC4=CC=CC=C4)C

InChI

InChI=1S/C22H26N6O2/c1-14-15(2)24-28(16(14)3)21-23-19-18(25(21)4)20(29)27(22(30)26(19)5)13-9-12-17-10-7-6-8-11-17/h6-8,10-11H,9,12-13H2,1-5H3