4-azanyl-2-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-(4-besylpiperazino)-2-keto-ethyl]thio]pyrimidine-5-carbonitrile Formula: C17H18N6O3S2 MolecularWeight: 418.49322

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC=C(C(=N2)N)C#N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC=C(C(=N2)N)C#N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H18N6O3S2/c18-10-13-11-20-17(21-16(13)19)27-12-15(24)22-6-8-23(9-7-22)28(25,26)14-4-2-1-3-5-14/h1-5,11H,6-9,12H2,(H2,19,20,21)