ethyl 1-[2-[4-chloranyl-6-[3-methyl-4-(propan-2-ylcarbamoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[4-chloranyl-6-[3-methyl-4-(propan-2-ylcarbamoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[4-chloro-6-[4-(isopropylcarbamoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanylacetyl]piperidine-3-carboxylate CAS Name: 1-[2-[[4-chloro-6-[3-methyl-4-[oxo-(propan-2-ylamino)methyl]-1-piperazinyl]-2-pyrimidinyl]thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-chloro-6-[3-methyl-4-(propan-2-ylcarbamoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[[4-chloro-6-[4-(isopropylcarbamoyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]acetyl]nipecotic acid ethyl ester Formula: C23H35ClN6O4S MolecularWeight: 527.0798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(C(C3)C)C(=O)NC(C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(C(C3)C)C(=O)NC(C)C

InChI

InChI=1S/C23H35ClN6O4S/c1-5-34-21(32)17-7-6-8-29(13-17)20(31)14-35-22-26-18(24)11-19(27-22)28-9-10-30(16(4)12-28)23(33)25-15(2)3/h11,15-17H,5-10,12-14H2,1-4H3,(H,25,33)