2-[2-[4-(1-adamantyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[2-[4-(1-adamantyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[2-[4-(1-adamantyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile CAS Name: 2-[[2-[4-(1-adamantyl)-1-piperazinyl]-2-oxoethyl]thio]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[2-[4-(1-adamantyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[[2-[4-(1-adamantyl)piperazino]-2-keto-ethyl]thio]-4-keto-6-phenyl-1H-pyrimidine-5-carbonitrile Formula: C27H31N5O2S MolecularWeight: 489.63234

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H31N5O2S/c28-16-22-24(21-4-2-1-3-5-21)29-26(30-25(22)34)35-17-23(33)31-6-8-32(9-7-31)27-13-18-10-19(14-27)12-20(11-18)15-27/h1-5,18-20H,6-15,17H2,(H,29,30,34)