4-[4-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[(4-oxo-1H-quinazolin-2-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[(4-oxo-1H-quinazolin-2-yl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[(4-oxo-1H-quinazolin-2-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[(4-keto-1H-quinazolin-2-yl)methyl]piperazino]sulfonylbenzonitrile Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1CC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H19N5O3S/c21-13-15-5-7-16(8-6-15)29(27,28)25-11-9-24(10-12-25)14-19-22-18-4-2-1-3-17(18)20(26)23-19/h1-8H,9-12,14H2,(H,22,23,26)