N6-(2,1,3-benzothiadiazol-5-ylmethyl)-N4-[(3-methoxyphenyl)methyl]pyrimidine-4,6-dicarboxamide

Systemtic Name: N6-(2,1,3-benzothiadiazol-5-ylmethyl)-N4-[(3-methoxyphenyl)methyl]pyrimidine-4,6-dicarboxamide Openeye Name: N6-(2,1,3-benzothiadiazol-5-ylmethyl)-N4-[(3-methoxyphenyl)methyl]pyrimidine-4,6-dicarboxamide CAS Name: N6-(2,1,3-benzothiadiazol-5-ylmethyl)-N4-[(3-methoxyphenyl)methyl]pyrimidine-4,6-dicarboxamide IUPAC Name: 6-N-(2,1,3-benzothiadiazol-5-ylmethyl)-4-N-[(3-methoxyphenyl)methyl]pyrimidine-4,6-dicarboxamide Traditional Name: N-m-anisyl-N'-(piazthiol-5-ylmethyl)pyrimidine-4,6-dicarboxamide Formula: C21H18N6O3S MolecularWeight: 434.47102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)C2=NC=NC(=C2)C(=O)NCC3=CC4=NSN=C4C=C3

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)C2=NC=NC(=C2)C(=O)NCC3=CC4=NSN=C4C=C3

InChI

InChI=1S/C21H18N6O3S/c1-30-15-4-2-3-13(7-15)10-22-20(28)18-9-19(25-12-24-18)21(29)23-11-14-5-6-16-17(8-14)27-31-26-16/h2-9,12H,10-11H2,1H3,(H,22,28)(H,23,29)