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

Systemtic Name: 4-azanyl-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]pyrimidine-5-carbonitrile Formula: C17H18N6OS MolecularWeight: 354.42942

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C17H18N6OS/c18-10-13-11-20-17(21-16(13)19)25-12-15(24)23-8-6-22(7-9-23)14-4-2-1-3-5-14/h1-5,11H,6-9,12H2,(H2,19,20,21)