6-methyl-4-(2-oxidanyl-3-prop-2-enyl-phenyl)-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: 6-methyl-4-(2-oxidanyl-3-prop-2-enyl-phenyl)-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-(3-allyl-2-hydroxy-phenyl)-6-methyl-N-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(2-hydroxy-3-prop-2-enylphenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-(2-hydroxy-3-prop-2-enylphenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-(3-allyl-2-hydroxy-phenyl)-6-methyl-N-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=C(C(=CC=C2)CC=C)O)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=C(C(=CC=C2)CC=C)O)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O2S/c1-3-8-14-9-7-12-16(19(14)25)18-17(13(2)22-21(27)24-18)20(26)23-15-10-5-4-6-11-15/h3-7,9-12,18,25H,1,8H2,2H3,(H,23,26)(H2,22,24,27)