(4R)-N,N-diethyl-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: (4R)-N,N-diethyl-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: (4R)-N,N-diethyl-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: (4R)-N,N-diethyl-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: (4R)-N,N-diethyl-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: (4R)-N,N-diethyl-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(NC(=S)NC1C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(NC(=S)N[C@@H]1C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C

InChI

InChI=1S/C17H20N4O5S/c1-4-20(5-2)16(22)14-9(3)18-17(27)19-15(14)10-6-12-13(26-8-25-12)7-11(10)21(23)24/h6-7,15H,4-5,8H2,1-3H3,(H2,18,19,27)/t15-/m1/s1