4-azanyl-2-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-oxo-butyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[4-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-4-oxobutyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-oxobutyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[4-[4-(4-chlorophenyl)sulfonylpiperazino]-4-keto-butyl]thio]pyrimidine-5-carbonitrile Formula: C19H21ClN6O3S2 MolecularWeight: 480.99144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCSC2=NC=C(C(=N2)N)C#N)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1C(=O)CCCSC2=NC=C(C(=N2)N)C#N)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H21ClN6O3S2/c20-15-3-5-16(6-4-15)31(28,29)26-9-7-25(8-10-26)17(27)2-1-11-30-19-23-13-14(12-21)18(22)24-19/h3-6,13H,1-2,7-11H2,(H2,22,23,24)