[(4R)-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-morpholin-4-yl-methanone

Systemtic Name: [(4R)-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-morpholin-4-yl-methanone Openeye Name: [(4R)-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]-morpholino-methanone CAS Name: [(4R)-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-(4-morpholinyl)methanone IUPAC Name: [(4R)-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-morpholin-4-ylmethanone Traditional Name: [(4R)-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]-morpholino-methanone Formula: C17H18N4O6S MolecularWeight: 406.41302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)N4CCOCC4

Isomeric SMILES

CC1=C([C@H](NC(=S)N1)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)N4CCOCC4

InChI

InChI=1S/C17H18N4O6S/c1-9-14(16(22)20-2-4-25-5-3-20)15(19-17(28)18-9)10-6-12-13(27-8-26-12)7-11(10)21(23)24/h6-7,15H,2-5,8H2,1H3,(H2,18,19,28)/t15-/m1/s1