[(5R,6S)-4-methylidene-6-(6-nitro-1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3-diazinan-5-yl]-morpholin-4-yl-methanone

Systemtic Name: [(5R,6S)-4-methylidene-6-(6-nitro-1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3-diazinan-5-yl]-morpholin-4-yl-methanone Openeye Name: [(5R,6S)-4-methylene-6-(6-nitro-1,3-benzodioxol-5-yl)-2-thioxo-hexahydropyrimidin-5-yl]-morpholino-methanone CAS Name: [(5R,6S)-4-methylene-6-(6-nitro-1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3-diazinan-5-yl]-(4-morpholinyl)methanone IUPAC Name: [(5R,6S)-4-methylidene-6-(6-nitro-1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3-diazinan-5-yl]-morpholin-4-ylmethanone Traditional Name: [(5R,6S)-4-methylene-6-(6-nitro-1,3-benzodioxol-5-yl)-2-thioxo-hexahydropyrimidin-5-yl]-morpholino-methanone Formula: C17H18N4O6S MolecularWeight: 406.41302

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=S)N1)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)N4CCOCC4

Isomeric SMILES

C=C1[C@@H]([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/h6-7,14-15H,1-5,8H2,(H2,18,19,28)/t14-,15+/m0/s1