2-[(4-methoxyphenyl)amino]-3-(thiophen-2-ylmethyl)-5,6-dihydro-1H-pyrimidin-3-ium-4-one

Systemtic Name: 2-[(4-methoxyphenyl)amino]-3-(thiophen-2-ylmethyl)-5,6-dihydro-1H-pyrimidin-3-ium-4-one Openeye Name: 2-(4-methoxyanilino)-3-(2-thienylmethyl)-5,6-dihydro-1H-pyrimidin-3-ium-4-one CAS Name: 2-(4-methoxyanilino)-3-(thiophen-2-ylmethyl)-5,6-dihydro-1H-pyrimidin-3-ium-4-one IUPAC Name: 2-(4-methoxyanilino)-3-(thiophen-2-ylmethyl)-5,6-dihydro-1H-pyrimidin-3-ium-4-one Traditional Name: 2-(p-anisidino)-3-(2-thenyl)-5,6-dihydro-1H-pyrimidin-3-ium-4-one Formula: C16H18N3O2S+ MolecularWeight: 316.39802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=[N+](C(=O)CCN2)CC3=CC=CS3

Isomeric SMILES

COC1=CC=C(C=C1)NC2=[N+](C(=O)CCN2)CC3=CC=CS3

InChI

InChI=1S/C16H17N3O2S/c1-21-13-6-4-12(5-7-13)18-16-17-9-8-15(20)19(16)11-14-3-2-10-22-14/h2-7,10H,8-9,11H2,1H3,(H,17,18)/p+1