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

Systemtic Name: 3-methyl-1-(2-oxidanylidenepropyl)-7-phenethyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 1-acetonyl-3-methyl-7-phenethyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 3-methyl-1-(2-oxopropyl)-7-phenethyl-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 3-methyl-1-(2-oxopropyl)-7-phenethyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 1-acetonyl-3-methyl-7-phenethyl-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C23H26N6O3 MolecularWeight: 434.49094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C)C2=NC3=C(N2CCC4=CC=CC=C4)C(=O)N(C(=O)N3C)CC(=O)C)C

Isomeric SMILES

CC1=C(N(N=C1C)C2=NC3=C(N2CCC4=CC=CC=C4)C(=O)N(C(=O)N3C)CC(=O)C)C

InChI

InChI=1S/C23H26N6O3/c1-14(30)13-28-21(31)19-20(26(5)23(28)32)24-22(29-17(4)15(2)16(3)25-29)27(19)12-11-18-9-7-6-8-10-18/h6-10H,11-13H2,1-5H3