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

Systemtic Name: N-butyl-4-[6-chloranyl-2-[2-[2-dimethylaminoethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Openeye Name: 4-[2-[2-[benzyl(2-dimethylaminoethyl)amino]-2-oxo-ethyl]sulfanyl-6-chloro-pyrimidin-4-yl]-N-butyl-2-methyl-piperazine-1-carboxamide CAS Name: N-butyl-4-[6-chloro-2-[[2-[2-dimethylaminoethyl-(phenylmethyl)amino]-2-oxoethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinecarboxamide IUPAC Name: 4-[2-[2-[benzyl(2-dimethylaminoethyl)amino]-2-oxoethyl]sulfanyl-6-chloropyrimidin-4-yl]-N-butyl-2-methylpiperazine-1-carboxamide Traditional Name: 4-[2-[[2-[benzyl(2-dimethylaminoethyl)amino]-2-keto-ethyl]thio]-6-chloro-pyrimidin-4-yl]-N-butyl-2-methyl-piperazine-1-carboxamide Formula: C27H40ClN7O2S MolecularWeight: 562.1702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)N(CCN(C)C)CC3=CC=CC=C3)Cl

Isomeric SMILES

CCCCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)N(CCN(C)C)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C27H40ClN7O2S/c1-5-6-12-29-27(37)35-16-15-33(18-21(35)2)24-17-23(28)30-26(31-24)38-20-25(36)34(14-13-32(3)4)19-22-10-8-7-9-11-22/h7-11,17,21H,5-6,12-16,18-20H2,1-4H3,(H,29,37)