4-[2-[2-(butylamino)-2-oxidanylidene-ethyl]sulfanyl-6-chloranyl-pyrimidin-4-yl]-2-methyl-N-propan-2-yl-piperazine-1-carboxamide

Systemtic Name: 4-[2-[2-(butylamino)-2-oxidanylidene-ethyl]sulfanyl-6-chloranyl-pyrimidin-4-yl]-2-methyl-N-propan-2-yl-piperazine-1-carboxamide Openeye Name: 4-[2-[2-(butylamino)-2-oxo-ethyl]sulfanyl-6-chloro-pyrimidin-4-yl]-N-isopropyl-2-methyl-piperazine-1-carboxamide CAS Name: 4-[2-[[2-(butylamino)-2-oxoethyl]thio]-6-chloro-4-pyrimidinyl]-2-methyl-N-propan-2-yl-1-piperazinecarboxamide IUPAC Name: 4-[2-[2-(butylamino)-2-oxoethyl]sulfanyl-6-chloropyrimidin-4-yl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide Traditional Name: 4-[2-[[2-(butylamino)-2-keto-ethyl]thio]-6-chloro-pyrimidin-4-yl]-N-isopropyl-2-methyl-piperazine-1-carboxamide Formula: C19H31ClN6O2S MolecularWeight: 443.00644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)NC(C)C

Isomeric SMILES

CCCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)NC(C)C

InChI

InChI=1S/C19H31ClN6O2S/c1-5-6-7-21-17(27)12-29-18-23-15(20)10-16(24-18)25-8-9-26(14(4)11-25)19(28)22-13(2)3/h10,13-14H,5-9,11-12H2,1-4H3,(H,21,27)(H,22,28)