4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-(4-nitrophenyl)-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide

Systemtic Name: 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-(4-nitrophenyl)-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Openeye Name: 3-allyl-4-methyl-N-(5-methylisoxazol-3-yl)-6-(4-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxamide CAS Name: 4-methyl-N-(5-methyl-3-isoxazolyl)-6-(4-nitrophenyl)-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide IUPAC Name: 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-(4-nitrophenyl)-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Traditional Name: 3-allyl-4-methyl-N-(5-methylisoxazol-3-yl)-6-(4-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxamide Formula: C19H19N5O4S MolecularWeight: 413.45026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C2=C(N(C(=S)NC2C3=CC=C(C=C3)[N+](=O)[O-])CC=C)C

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C2=C(N(C(=S)NC2C3=CC=C(C=C3)[N+](=O)[O-])CC=C)C

InChI

InChI=1S/C19H19N5O4S/c1-4-9-23-12(3)16(18(25)20-15-10-11(2)28-22-15)17(21-19(23)29)13-5-7-14(8-6-13)24(26)27/h4-8,10,17H,1,9H2,2-3H3,(H,21,29)(H,20,22,25)