2-[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanyl-1-[4-(diphenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanyl-1-[4-(diphenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 2-[[4-chloro-6-(diethylamino)-2-pyrimidinyl]thio]-1-[4-(diphenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylethanone Traditional Name: 1-(4-benzhydrylpiperazino)-2-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]thio]ethanone Formula: C27H32ClN5OS MolecularWeight: 510.09388

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CCN(CC)C1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C27H32ClN5OS/c1-3-31(4-2)24-19-23(28)29-27(30-24)35-20-25(34)32-15-17-33(18-16-32)26(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,19,26H,3-4,15-18,20H2,1-2H3