3-(4-methylphenyl)-1-prop-2-enyl-7H-purine-2,6-dione

Systemtic Name: 3-(4-methylphenyl)-1-prop-2-enyl-7H-purine-2,6-dione Openeye Name: 1-allyl-3-(p-tolyl)-7H-purine-2,6-dione CAS Name: 3-(4-methylphenyl)-1-prop-2-enyl-7H-purine-2,6-dione IUPAC Name: 3-(4-methylphenyl)-1-prop-2-enyl-7H-purine-2,6-dione Traditional Name: 1-allyl-3-(p-tolyl)-7H-purine-2,6-quinone Formula: C15H14N4O2 MolecularWeight: 282.29726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C(=O)N(C2=O)CC=C)NC=N3

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=O)N(C2=O)CC=C)NC=N3

InChI

InChI=1S/C15H14N4O2/c1-3-8-18-14(20)12-13(17-9-16-12)19(15(18)21)11-6-4-10(2)5-7-11/h3-7,9H,1,8H2,2H3,(H,16,17)