2-[4-[2-(6-methyl-4-oxidanylidene-quinazolin-3-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(6-methyl-4-oxidanylidene-quinazolin-3-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(6-methyl-4-oxo-quinazolin-3-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(6-methyl-4-oxo-3-quinazolinyl)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(6-methyl-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(4-keto-6-methyl-quinazolin-3-yl)acetyl]piperazino]sulfonylbenzonitrile Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=CN(C2=O)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=CN(C2=O)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H21N5O4S/c1-16-6-7-19-18(12-16)22(29)26(15-24-19)14-21(28)25-8-10-27(11-9-25)32(30,31)20-5-3-2-4-17(20)13-23/h2-7,12,15H,8-11,14H2,1H3