ethyl 4-azanyl-2-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[[1-[(3,4-dichlorophenyl)methyl]-4-piperidyl]amino]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[[1-[(3,4-dichlorophenyl)methyl]-4-piperidinyl]amino]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-[[1-(3,4-dichlorobenzyl)-4-piperidyl]amino]-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H25Cl2N5O3S MolecularWeight: 498.4259

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2CCN(CC2)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2CCN(CC2)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H25Cl2N5O3S/c1-2-31-20(30)15-10-25-21(27-19(15)24)32-12-18(29)26-14-5-7-28(8-6-14)11-13-3-4-16(22)17(23)9-13/h3-4,9-10,14H,2,5-8,11-12H2,1H3,(H,26,29)(H2,24,25,27)