ethyl 4-azanyl-2-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[4-(m-tolylmethyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-[4-(3-methylbenzyl)piperazino]ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N2CCN(CC2)CC3=CC=CC(=C3)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N2CCN(CC2)CC3=CC=CC(=C3)C

InChI

InChI=1S/C21H27N5O3S/c1-3-29-20(28)17-12-23-21(24-19(17)22)30-14-18(27)26-9-7-25(8-10-26)13-16-6-4-5-15(2)11-16/h4-6,11-12H,3,7-10,13-14H2,1-2H3,(H2,22,23,24)