(4S)-2-[(4-ethoxyphenyl)amino]-6-oxidanylidene-N-(phenylmethyl)-4,5-dihydro-1H-pyrimidin-3-ium-4-carboxamide

Systemtic Name: (4S)-2-[(4-ethoxyphenyl)amino]-6-oxidanylidene-N-(phenylmethyl)-4,5-dihydro-1H-pyrimidin-3-ium-4-carboxamide Openeye Name: (4S)-N-benzyl-2-(4-ethoxyanilino)-6-oxo-4,5-dihydro-1H-pyrimidin-3-ium-4-carboxamide CAS Name: (4S)-2-(4-ethoxyanilino)-6-oxo-N-(phenylmethyl)-4,5-dihydro-1H-pyrimidin-3-ium-4-carboxamide IUPAC Name: (4S)-N-benzyl-2-(4-ethoxyanilino)-6-oxo-4,5-dihydro-1H-pyrimidin-3-ium-4-carboxamide Traditional Name: (4S)-N-benzyl-6-keto-2-(p-phenetidino)-4,5-dihydro-1H-pyrimidin-3-ium-4-carboxamide Formula: C20H23N4O3+ MolecularWeight: 367.42162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=[NH+]C(CC(=O)N2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=[NH+][C@@H](CC(=O)N2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O3/c1-2-27-16-10-8-15(9-11-16)22-20-23-17(12-18(25)24-20)19(26)21-13-14-6-4-3-5-7-14/h3-11,17H,2,12-13H2,1H3,(H,21,26)(H2,22,23,24,25)/p+1/t17-/m0/s1