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

Systemtic Name: (2S)-4-[6-chloranyl-2-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide Openeye Name: (2S)-4-[6-chloro-2-[2-(isobutylamino)-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide CAS Name: (2S)-4-[6-chloro-2-[[2-(2-methylpropylamino)-2-oxoethyl]thio]-4-pyrimidinyl]-N-ethyl-2-methyl-1-piperazinecarboxamide IUPAC Name: (2S)-4-[6-chloro-2-[2-(2-methylpropylamino)-2-oxoethyl]sulfanylpyrimidin-4-yl]-N-ethyl-2-methylpiperazine-1-carboxamide Traditional Name: (2S)-4-[6-chloro-2-[[2-(isobutylamino)-2-keto-ethyl]thio]pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide Formula: C18H29ClN6O2S MolecularWeight: 428.97986

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCC(C)C)Cl

Isomeric SMILES

CCNC(=O)N1CCN(C[C@@H]1C)C2=CC(=NC(=N2)SCC(=O)NCC(C)C)Cl

InChI

InChI=1S/C18H29ClN6O2S/c1-5-20-18(27)25-7-6-24(10-13(25)4)15-8-14(19)22-17(23-15)28-11-16(26)21-9-12(2)3/h8,12-13H,5-7,9-11H2,1-4H3,(H,20,27)(H,21,26)/t13-/m0/s1