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

Systemtic Name: 4-azanyl-2-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-oxo-2-[4-(2-thienylmethyl)piperazin-1-yl]ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-oxo-2-[4-(thiophen-2-ylmethyl)-1-piperazinyl]ethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-keto-2-[4-(2-thenyl)piperazino]ethyl]thio]pyrimidine-5-carbonitrile Formula: C16H18N6OS2 MolecularWeight: 374.48372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CS2)C(=O)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC=CS2)C(=O)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C16H18N6OS2/c17-8-12-9-19-16(20-15(12)18)25-11-14(23)22-5-3-21(4-6-22)10-13-2-1-7-24-13/h1-2,7,9H,3-6,10-11H2,(H2,18,19,20)