2-methyl-5-[4-(2-quinazolin-4-ylsulfanylethanoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-methyl-5-[4-(2-quinazolin-4-ylsulfanylethanoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 2-methyl-5-[4-(2-quinazolin-4-ylsulfanylacetyl)piperazin-1-yl]oxazole-4-carbonitrile CAS Name: 2-methyl-5-[4-[1-oxo-2-(4-quinazolinylthio)ethyl]-1-piperazinyl]-4-oxazolecarbonitrile IUPAC Name: 2-methyl-5-[4-(2-quinazolin-4-ylsulfanylacetyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile Traditional Name: 2-methyl-5-[4-[2-(quinazolin-4-ylthio)acetyl]piperazino]oxazole-4-carbonitrile Formula: C19H18N6O2S MolecularWeight: 394.45022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(O1)N2CCN(CC2)C(=O)CSC3=NC=NC4=CC=CC=C43)C#N

Isomeric SMILES

CC1=NC(=C(O1)N2CCN(CC2)C(=O)CSC3=NC=NC4=CC=CC=C43)C#N

InChI

InChI=1S/C19H18N6O2S/c1-13-23-16(10-20)19(27-13)25-8-6-24(7-9-25)17(26)11-28-18-14-4-2-3-5-15(14)21-12-22-18/h2-5,12H,6-9,11H2,1H3