ethyl (4S)-4-(3-methoxyphenyl)-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-(3-methoxyphenyl)-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(3-methoxyphenyl)-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(3-methoxyphenyl)-6-[(4-methyl-1-piperazin-4-iumyl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(3-methoxyphenyl)-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-4-(3-methoxyphenyl)-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H29N4O4+ MolecularWeight: 389.46866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)OC)CN3CC[NH+](CC3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC(=CC=C2)OC)CN3CC[NH+](CC3)C

InChI

InChI=1S/C20H28N4O4/c1-4-28-19(25)17-16(13-24-10-8-23(2)9-11-24)21-20(26)22-18(17)14-6-5-7-15(12-14)27-3/h5-7,12,18H,4,8-11,13H2,1-3H3,(H2,21,22,26)/p+1/t18-/m0/s1