6-azanyl-4-[[3-chloranyl-4-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]phenyl]amino]-7-methoxy-quinoline-3-carbonitrile

Systemtic Name: 6-azanyl-4-[[3-chloranyl-4-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]phenyl]amino]-7-methoxy-quinoline-3-carbonitrile Openeye Name: 6-amino-4-[3-chloro-4-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]anilino]-7-methoxy-quinoline-3-carbonitrile CAS Name: 6-amino-4-[3-chloro-4-[(4-oxo-1H-quinazolin-2-yl)thio]anilino]-7-methoxy-3-quinolinecarbonitrile IUPAC Name: 6-amino-4-[3-chloro-4-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]anilino]-7-methoxyquinoline-3-carbonitrile Traditional Name: 6-amino-4-[3-chloro-4-[(4-keto-1H-quinazolin-2-yl)thio]anilino]-7-methoxy-quinoline-3-carbonitrile Formula: C25H17ClN6O2S MolecularWeight: 500.95948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)SC4=NC(=O)C5=CC=CC=C5N4)Cl)C#N)N

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)SC4=NC(=O)C5=CC=CC=C5N4)Cl)C#N)N

InChI

InChI=1S/C25H17ClN6O2S/c1-34-21-10-20-16(9-18(21)28)23(13(11-27)12-29-20)30-14-6-7-22(17(26)8-14)35-25-31-19-5-3-2-4-15(19)24(33)32-25/h2-10,12H,28H2,1H3,(H,29,30)(H,31,32,33)