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

Systemtic Name: 8-(3,5-diethylpyrazol-1-yl)-3,7-dimethyl-1-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-(3,5-diethylpyrazol-1-yl)-3,7-dimethyl-1-(3-phenylpropyl)purine-2,6-dione CAS Name: 8-(3,5-diethyl-1-pyrazolyl)-3,7-dimethyl-1-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-(3,5-diethylpyrazol-1-yl)-3,7-dimethyl-1-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-(3,5-diethylpyrazol-1-yl)-3,7-dimethyl-1-(3-phenylpropyl)xanthine Formula: C23H28N6O2 MolecularWeight: 420.50742

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NN1C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CCCC4=CC=CC=C4)CC

Isomeric SMILES

CCC1=CC(=NN1C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CCCC4=CC=CC=C4)CC

InChI

InChI=1S/C23H28N6O2/c1-5-17-15-18(6-2)29(25-17)22-24-20-19(26(22)3)21(30)28(23(31)27(20)4)14-10-13-16-11-8-7-9-12-16/h7-9,11-12,15H,5-6,10,13-14H2,1-4H3