ethyl 4-[2-[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[4-chloro-6-(dipropylamino)-2-pyrimidinyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H30ClN5O3S MolecularWeight: 443.9912

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C(=O)OCC)Cl

Isomeric SMILES

CCCN(CCC)C1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C(=O)OCC)Cl

InChI

InChI=1S/C19H30ClN5O3S/c1-4-7-23(8-5-2)16-13-15(20)21-18(22-16)29-14-17(26)24-9-11-25(12-10-24)19(27)28-6-3/h13H,4-12,14H2,1-3H3