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

Systemtic Name: 4-[6-chloranyl-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-pyrimidin-4-yl]-2-methyl-N-propan-2-yl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-(2-morpholino-2-oxo-ethyl)sulfanyl-pyrimidin-4-yl]-N-isopropyl-2-methyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-4-pyrimidinyl]-2-methyl-N-propan-2-yl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-yl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[(2-keto-2-morpholino-ethyl)thio]pyrimidin-4-yl]-N-isopropyl-2-methyl-piperazine-1-carboxamide Formula: C19H29ClN6O3S MolecularWeight: 456.98996

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC(C)C)C2=CC(=NC(=N2)SCC(=O)N3CCOCC3)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)NC(C)C)C2=CC(=NC(=N2)SCC(=O)N3CCOCC3)Cl

InChI

InChI=1S/C19H29ClN6O3S/c1-13(2)21-19(28)26-5-4-25(11-14(26)3)16-10-15(20)22-18(23-16)30-12-17(27)24-6-8-29-9-7-24/h10,13-14H,4-9,11-12H2,1-3H3,(H,21,28)