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

Systemtic Name: 3-methyl-1-(2-oxidanylidenepropyl)-7-propan-2-yl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 1-acetonyl-7-isopropyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 3-methyl-1-(2-oxopropyl)-7-propan-2-yl-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 3-methyl-1-(2-oxopropyl)-7-propan-2-yl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 1-acetonyl-7-isopropyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C18H24N6O3 MolecularWeight: 372.42156

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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)CC(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6O3/c1-9(2)23-14-15(19-17(23)24-13(6)11(4)12(5)20-24)21(7)18(27)22(16(14)26)8-10(3)25/h9H,8H2,1-7H3