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

Systemtic Name: 4-[6-chloranyl-2-[2-[2-dimethylaminoethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-N-propan-2-yl-piperazine-1-carboxamide Openeye Name: 4-[2-[2-[benzyl(2-dimethylaminoethyl)amino]-2-oxo-ethyl]sulfanyl-6-chloro-pyrimidin-4-yl]-N-isopropyl-2-methyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-[2-dimethylaminoethyl-(phenylmethyl)amino]-2-oxoethyl]thio]-4-pyrimidinyl]-2-methyl-N-propan-2-yl-1-piperazinecarboxamide IUPAC Name: 4-[2-[2-[benzyl(2-dimethylaminoethyl)amino]-2-oxoethyl]sulfanyl-6-chloropyrimidin-4-yl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide Traditional Name: 4-[2-[[2-[benzyl(2-dimethylaminoethyl)amino]-2-keto-ethyl]thio]-6-chloro-pyrimidin-4-yl]-N-isopropyl-2-methyl-piperazine-1-carboxamide Formula: C26H38ClN7O2S MolecularWeight: 548.14362

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC(C)C)C2=CC(=NC(=N2)SCC(=O)N(CCN(C)C)CC3=CC=CC=C3)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)NC(C)C)C2=CC(=NC(=N2)SCC(=O)N(CCN(C)C)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C26H38ClN7O2S/c1-19(2)28-26(36)34-14-13-32(16-20(34)3)23-15-22(27)29-25(30-23)37-18-24(35)33(12-11-31(4)5)17-21-9-7-6-8-10-21/h6-10,15,19-20H,11-14,16-18H2,1-5H3,(H,28,36)