N-[6-azanyl-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]benzamide

Systemtic Name: N-[6-azanyl-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]benzamide Openeye Name: N-[6-amino-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]benzamide CAS Name: N-[6-amino-2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[6-amino-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[6-amino-4-keto-2-[[2-keto-2-(piperonylamino)ethyl]thio]-1H-pyrimidin-5-yl]benzamide Formula: C21H19N5O5S MolecularWeight: 453.47106

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC(=O)C(=C(N3)N)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC(=O)C(=C(N3)N)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H19N5O5S/c22-18-17(24-19(28)13-4-2-1-3-5-13)20(29)26-21(25-18)32-10-16(27)23-9-12-6-7-14-15(8-12)31-11-30-14/h1-8H,9-11H2,(H,23,27)(H,24,28)(H3,22,25,26,29)