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

Systemtic Name: 2-[(4-ethoxyphenyl)amino]-3-(thiophen-2-ylmethyl)-5,6-dihydro-1H-pyrimidin-3-ium-4-one Openeye Name: 2-(4-ethoxyanilino)-3-(2-thienylmethyl)-5,6-dihydro-1H-pyrimidin-3-ium-4-one CAS Name: 2-(4-ethoxyanilino)-3-(thiophen-2-ylmethyl)-5,6-dihydro-1H-pyrimidin-3-ium-4-one IUPAC Name: 2-(4-ethoxyanilino)-3-(thiophen-2-ylmethyl)-5,6-dihydro-1H-pyrimidin-3-ium-4-one Traditional Name: 2-(p-phenetidino)-3-(2-thenyl)-5,6-dihydro-1H-pyrimidin-3-ium-4-one Formula: C17H20N3O2S+ MolecularWeight: 330.4246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=[N+](C(=O)CCN2)CC3=CC=CS3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=[N+](C(=O)CCN2)CC3=CC=CS3

InChI

InChI=1S/C17H19N3O2S/c1-2-22-14-7-5-13(6-8-14)19-17-18-10-9-16(21)20(17)12-15-4-3-11-23-15/h3-8,11H,2,9-10,12H2,1H3,(H,18,19)/p+1