3-methyl-7-(3-phenylpropyl)-8-(2-prop-1-en-2-ylhydrazinyl)purine-2,6-dione

Systemtic Name: 3-methyl-7-(3-phenylpropyl)-8-(2-prop-1-en-2-ylhydrazinyl)purine-2,6-dione Openeye Name: 8-(2-isopropenylhydrazino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 3-methyl-8-(1-methylethenylhydrazo)-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(3-phenylpropyl)-8-(2-prop-1-en-2-ylhydrazinyl)purine-2,6-dione Traditional Name: 8-(N'-isopropenylhydrazino)-3-methyl-7-(3-phenylpropyl)xanthine Formula: C18H22N6O2 MolecularWeight: 354.40628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)NNC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CC(=C)NNC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C18H22N6O2/c1-12(2)21-22-17-19-15-14(16(25)20-18(26)23(15)3)24(17)11-7-10-13-8-5-4-6-9-13/h4-6,8-9,21H,1,7,10-11H2,2-3H3,(H,19,22)(H,20,25,26)