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

Systemtic Name: N-butyl-4-[6-chloranyl-2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Openeye Name: N-butyl-4-[6-chloro-2-[2-(cyclopropylamino)-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide CAS Name: N-butyl-4-[6-chloro-2-[[2-(cyclopropylamino)-2-oxoethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinecarboxamide IUPAC Name: N-butyl-4-[6-chloro-2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylpyrimidin-4-yl]-2-methylpiperazine-1-carboxamide Traditional Name: N-butyl-4-[6-chloro-2-[[2-(cyclopropylamino)-2-keto-ethyl]thio]pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Formula: C19H29ClN6O2S MolecularWeight: 440.99056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NC3CC3)Cl

Isomeric SMILES

CCCCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NC3CC3)Cl

InChI

InChI=1S/C19H29ClN6O2S/c1-3-4-7-21-19(28)26-9-8-25(11-13(26)2)16-10-15(20)23-18(24-16)29-12-17(27)22-14-5-6-14/h10,13-14H,3-9,11-12H2,1-2H3,(H,21,28)(H,22,27)