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

Systemtic Name: 3-methyl-1,7-bis(prop-2-enyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 1,7-diallyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 3-methyl-1,7-bis(prop-2-enyl)-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 3-methyl-1,7-bis(prop-2-enyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 1,7-diallyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C18H22N6O2 MolecularWeight: 354.40628

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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=C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O2/c1-7-9-22-14-15(21(6)18(26)23(10-8-2)16(14)25)19-17(22)24-13(5)11(3)12(4)20-24/h7-8H,1-2,9-10H2,3-6H3