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

Systemtic Name: 3-methyl-1-(2-oxidanylidenepropyl)-7-prop-2-enyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 1-acetonyl-7-allyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 3-methyl-1-(2-oxopropyl)-7-prop-2-enyl-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 3-methyl-1-(2-oxopropyl)-7-prop-2-enyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 1-acetonyl-7-allyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C)C2=NC3=C(N2CC=C)C(=O)N(C(=O)N3C)CC(=O)C)C

Isomeric SMILES

CC1=C(N(N=C1C)C2=NC3=C(N2CC=C)C(=O)N(C(=O)N3C)CC(=O)C)C

InChI

InChI=1S/C18H22N6O3/c1-7-8-22-14-15(19-17(22)24-13(5)11(3)12(4)20-24)21(6)18(27)23(16(14)26)9-10(2)25/h7H,1,8-9H2,2-6H3