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

Systemtic Name: 3-methyl-1-(3-phenylpropyl)-7-propan-2-yl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 7-isopropyl-3-methyl-1-(3-phenylpropyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 3-methyl-1-(3-phenylpropyl)-7-propan-2-yl-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 3-methyl-1-(3-phenylpropyl)-7-propan-2-yl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 7-isopropyl-3-methyl-1-(3-phenylpropyl)-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C24H30N6O2 MolecularWeight: 434.534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N6O2/c1-15(2)29-20-21(25-23(29)30-18(5)16(3)17(4)26-30)27(6)24(32)28(22(20)31)14-10-13-19-11-8-7-9-12-19/h7-9,11-12,15H,10,13-14H2,1-6H3