2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-(2-thienylmethyl)pyrimidine-5-carboxamide CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-(thiophen-2-ylmethyl)-5-pyrimidinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide Traditional Name: 4-methyl-2-(piperonylamino)-N-(2-thenyl)pyrimidine-5-carboxamide Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)NCC2=CC=CS2)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC(=NC=C1C(=O)NCC2=CC=CS2)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H18N4O3S/c1-12-15(18(24)20-9-14-3-2-6-27-14)10-22-19(23-12)21-8-13-4-5-16-17(7-13)26-11-25-16/h2-7,10H,8-9,11H2,1H3,(H,20,24)(H,21,22,23)