N4-(1,3-benzodioxol-5-ylmethyl)-N6-(2,1,3-benzothiadiazol-5-ylmethyl)pyrimidine-4,6-dicarboxamide

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-N6-(2,1,3-benzothiadiazol-5-ylmethyl)pyrimidine-4,6-dicarboxamide Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-N6-(2,1,3-benzothiadiazol-5-ylmethyl)pyrimidine-4,6-dicarboxamide CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-N6-(2,1,3-benzothiadiazol-5-ylmethyl)pyrimidine-4,6-dicarboxamide IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-6-N-(2,1,3-benzothiadiazol-5-ylmethyl)pyrimidine-4,6-dicarboxamide Traditional Name: N'-(piazthiol-5-ylmethyl)-N-piperonyl-pyrimidine-4,6-dicarboxamide Formula: C21H16N6O4S MolecularWeight: 448.45454

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NC=NC(=C3)C(=O)NCC4=CC5=NSN=C5C=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NC=NC(=C3)C(=O)NCC4=CC5=NSN=C5C=C4

InChI

InChI=1S/C21H16N6O4S/c28-20(22-8-12-1-3-14-15(5-12)27-32-26-14)16-7-17(25-10-24-16)21(29)23-9-13-2-4-18-19(6-13)31-11-30-18/h1-7,10H,8-9,11H2,(H,22,28)(H,23,29)