2-[2-[4-(1-adamantyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-azanyl-1-phenyl-pyrimidin-4-one

Systemtic Name: 2-[2-[4-(1-adamantyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-azanyl-1-phenyl-pyrimidin-4-one Openeye Name: 2-[2-[4-(1-adamantyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-6-amino-1-phenyl-pyrimidin-4-one CAS Name: 2-[[2-[4-(1-adamantyl)-1-piperazinyl]-2-oxoethyl]thio]-6-amino-1-phenyl-4-pyrimidinone IUPAC Name: 2-[2-[4-(1-adamantyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-6-amino-1-phenylpyrimidin-4-one Traditional Name: 2-[[2-[4-(1-adamantyl)piperazino]-2-keto-ethyl]thio]-6-amino-1-phenyl-pyrimidin-4-one Formula: C26H33N5O2S MolecularWeight: 479.63752

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC(=O)C=C(N2C3=CC=CC=C3)N)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC(=O)C=C(N2C3=CC=CC=C3)N)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H33N5O2S/c27-22-13-23(32)28-25(31(22)21-4-2-1-3-5-21)34-17-24(33)29-6-8-30(9-7-29)26-14-18-10-19(15-26)12-20(11-18)16-26/h1-5,13,18-20H,6-12,14-17,27H2