2-[4-oxidanylidene-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[4-oxidanylidene-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]quinazolin-3-yl]ethanenitrile Openeye Name: 2-[4-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]quinazolin-3-yl]acetonitrile CAS Name: 2-[4-oxo-2-[[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]methyl]-3-quinazolinyl]acetonitrile IUPAC Name: 2-[4-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]quinazolin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-[[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]methyl]quinazolin-3-yl]acetonitrile Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C18H17N5O2S/c1-2-5-12-10-16(24)22-18(20-12)26-11-15-21-14-7-4-3-6-13(14)17(25)23(15)9-8-19/h3-4,6-7,10H,2,5,9,11H2,1H3,(H,20,22,24)