6,7-diethoxy-N-methyl-4-[3-(5-methylsulfanylpyridin-3-yl)phenyl]quinazolin-2-amine

Systemtic Name: 6,7-diethoxy-N-methyl-4-[3-(5-methylsulfanylpyridin-3-yl)phenyl]quinazolin-2-amine Openeye Name: 6,7-diethoxy-N-methyl-4-[3-(5-methylsulfanyl-3-pyridyl)phenyl]quinazolin-2-amine CAS Name: 6,7-diethoxy-N-methyl-4-[3-[5-(methylthio)-3-pyridinyl]phenyl]-2-quinazolinamine IUPAC Name: 6,7-diethoxy-N-methyl-4-[3-(5-methylsulfanylpyridin-3-yl)phenyl]quinazolin-2-amine Traditional Name: [6,7-diethoxy-4-[3-[5-(methylthio)-3-pyridyl]phenyl]quinazolin-2-yl]-methyl-amine Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=NC(=N2)NC)C3=CC=CC(=C3)C4=CC(=CN=C4)SC)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=NC(=N2)NC)C3=CC=CC(=C3)C4=CC(=CN=C4)SC)OCC

InChI

InChI=1S/C25H26N4O2S/c1-5-30-22-12-20-21(13-23(22)31-6-2)28-25(26-3)29-24(20)17-9-7-8-16(10-17)18-11-19(32-4)15-27-14-18/h7-15H,5-6H2,1-4H3,(H,26,28,29)