2-[(6-oxidanylidene-9-phenyl-3H-purin-8-yl)sulfanyl]-N-phenyl-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[(6-oxidanylidene-9-phenyl-3H-purin-8-yl)sulfanyl]-N-phenyl-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[(6-oxo-9-phenyl-3H-purin-8-yl)sulfanyl]-N-phenyl-acetamide CAS Name: 2-[(6-oxo-9-phenyl-3H-purin-8-yl)thio]-N-phenyl-N-prop-2-enylacetamide IUPAC Name: 2-[(6-oxo-9-phenyl-3H-purin-8-yl)sulfanyl]-N-phenyl-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[(6-keto-9-phenyl-3H-purin-8-yl)thio]-N-phenyl-acetamide Formula: C22H19N5O2S MolecularWeight: 417.48356

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=CC=CC=C1)C(=O)CSC2=NC3=C(N2C4=CC=CC=C4)NC=NC3=O

Isomeric SMILES

C=CCN(C1=CC=CC=C1)C(=O)CSC2=NC3=C(N2C4=CC=CC=C4)NC=NC3=O

InChI

InChI=1S/C22H19N5O2S/c1-2-13-26(16-9-5-3-6-10-16)18(28)14-30-22-25-19-20(23-15-24-21(19)29)27(22)17-11-7-4-8-12-17/h2-12,15H,1,13-14H2,(H,23,24,29)