ethyl 4-azanyl-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O3S/c1-2-28-20(27)17-13-23-21(24-19(17)22)29-14-18(26)25-10-8-16(9-11-25)12-15-6-4-3-5-7-15/h3-7,13,16H,2,8-12,14H2,1H3,(H2,22,23,24)