4-[6-chloranyl-2-[2-[(diphenylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-N-propyl-piperazine-1-carboxamide

Systemtic Name: 4-[6-chloranyl-2-[2-[(diphenylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-N-propyl-piperazine-1-carboxamide Openeye Name: 4-[2-[2-(benzhydrylamino)-2-oxo-ethyl]sulfanyl-6-chloro-pyrimidin-4-yl]-N-propyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-[(diphenylmethyl)amino]-2-oxoethyl]thio]-4-pyrimidinyl]-N-propyl-1-piperazinecarboxamide IUPAC Name: 4-[2-[2-(benzhydrylamino)-2-oxoethyl]sulfanyl-6-chloropyrimidin-4-yl]-N-propylpiperazine-1-carboxamide Traditional Name: 4-[2-[[2-(benzhydrylamino)-2-keto-ethyl]thio]-6-chloro-pyrimidin-4-yl]-N-propyl-piperazine-1-carboxamide Formula: C27H31ClN6O2S MolecularWeight: 539.09204

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CCCNC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C27H31ClN6O2S/c1-2-13-29-27(36)34-16-14-33(15-17-34)23-18-22(28)30-26(31-23)37-19-24(35)32-25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,18,25H,2,13-17,19H2,1H3,(H,29,36)(H,32,35)