2-[4-oxidanylidene-2-[(4-thiophen-2-ylcarbonylpiperazin-1-yl)methyl]quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[4-oxidanylidene-2-[(4-thiophen-2-ylcarbonylpiperazin-1-yl)methyl]quinazolin-3-yl]ethanenitrile Openeye Name: 2-[4-oxo-2-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]quinazolin-3-yl]acetonitrile CAS Name: 2-[4-oxo-2-[[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]methyl]-3-quinazolinyl]acetonitrile IUPAC Name: 2-[4-oxo-2-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]quinazolin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-[[4-(2-thenoyl)piperazino]methyl]quinazolin-3-yl]acetonitrile Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=O)N2CC#N)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=O)N2CC#N)C(=O)C4=CC=CS4

InChI

InChI=1S/C20H19N5O2S/c21-7-8-25-18(22-16-5-2-1-4-15(16)19(25)26)14-23-9-11-24(12-10-23)20(27)17-6-3-13-28-17/h1-6,13H,8-12,14H2