4-[6-chloranyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-N-propan-2-yl-piperazine-1-carboxamide

Systemtic Name: 4-[6-chloranyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-N-propan-2-yl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-N-isopropyl-2-methyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-4-pyrimidinyl]-2-methyl-N-propan-2-yl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanylpyrimidin-4-yl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]pyrimidin-4-yl]-N-isopropyl-2-methyl-piperazine-1-carboxamide Formula: C24H31ClN6O2S MolecularWeight: 503.05994

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC(C)C)C2=CC(=NC(=N2)SCC(=O)N3CCC4=CC=CC=C4C3)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)NC(C)C)C2=CC(=NC(=N2)SCC(=O)N3CCC4=CC=CC=C4C3)Cl

InChI

InChI=1S/C24H31ClN6O2S/c1-16(2)26-24(33)31-11-10-29(13-17(31)3)21-12-20(25)27-23(28-21)34-15-22(32)30-9-8-18-6-4-5-7-19(18)14-30/h4-7,12,16-17H,8-11,13-15H2,1-3H3,(H,26,33)