3-(2-methylphenyl)-1-(thiophen-2-ylmethyl)-7H-purine-2,6-dione

Systemtic Name: 3-(2-methylphenyl)-1-(thiophen-2-ylmethyl)-7H-purine-2,6-dione Openeye Name: 3-(o-tolyl)-1-(2-thienylmethyl)-7H-purine-2,6-dione CAS Name: 3-(2-methylphenyl)-1-(thiophen-2-ylmethyl)-7H-purine-2,6-dione IUPAC Name: 3-(2-methylphenyl)-1-(thiophen-2-ylmethyl)-7H-purine-2,6-dione Traditional Name: 3-(o-tolyl)-1-(2-thenyl)-7H-purine-2,6-quinone Formula: C17H14N4O2S MolecularWeight: 338.38366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)CC4=CC=CS4)NC=N3

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)CC4=CC=CS4)NC=N3

InChI

InChI=1S/C17H14N4O2S/c1-11-5-2-3-7-13(11)21-15-14(18-10-19-15)16(22)20(17(21)23)9-12-6-4-8-24-12/h2-8,10H,9H2,1H3,(H,18,19)