N-[4-[2-[3-(3-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]phenyl]butanamide

Systemtic Name: N-[4-[2-[3-(3-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]phenyl]butanamide Openeye Name: N-[4-[2-[3-(3-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoyl]phenyl]butanamide CAS Name: N-[4-[2-[[3-(3-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]-1-oxopropyl]phenyl]butanamide IUPAC Name: N-[4-[2-[3-(3-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]phenyl]butanamide Traditional Name: N-[4-[2-[[4-keto-3-(3-methyl-2-pyridyl)quinazolin-2-yl]thio]propanoyl]phenyl]butyramide Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=C(C=CC=N4)C

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=C(C=CC=N4)C

InChI

InChI=1S/C27H26N4O3S/c1-4-8-23(32)29-20-14-12-19(13-15-20)24(33)18(3)35-27-30-22-11-6-5-10-21(22)26(34)31(27)25-17(2)9-7-16-28-25/h5-7,9-16,18H,4,8H2,1-3H3,(H,29,32)