N,N,6-trimethyl-4-(3-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: N,N,6-trimethyl-4-(3-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: N,N,6-trimethyl-4-(3-nitrophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: N,N,6-trimethyl-4-(3-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: N,N,6-trimethyl-4-(3-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: N,N,6-trimethyl-4-(3-nitrophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)N(C)C

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)N(C)C

InChI

InChI=1S/C14H16N4O3S/c1-8-11(13(19)17(2)3)12(16-14(22)15-8)9-5-4-6-10(7-9)18(20)21/h4-7,12H,1-3H3,(H2,15,16,22)