2-[4-oxidanylidene-2-[[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylmethyl]quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[4-oxidanylidene-2-[[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylmethyl]quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C22H19N5O3S MolecularWeight: 433.48296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC4=CC=CC=C4C(=O)N3CCCO)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC4=CC=CC=C4C(=O)N3CCCO)CC#N

InChI

InChI=1S/C22H19N5O3S/c23-10-12-26-19(24-17-8-3-1-6-15(17)20(26)29)14-31-22-25-18-9-4-2-7-16(18)21(30)27(22)11-5-13-28/h1-4,6-9,28H,5,11-14H2