5-azanyl-7-tert-butyl-2-methylsulfanyl-4-[3-(2-pyrrolidin-1-ylethoxy)phenyl]quinazoline-6-carboxamide

Systemtic Name: 5-azanyl-7-tert-butyl-2-methylsulfanyl-4-[3-(2-pyrrolidin-1-ylethoxy)phenyl]quinazoline-6-carboxamide Openeye Name: 5-amino-7-tert-butyl-2-methylsulfanyl-4-[3-(2-pyrrolidin-1-ylethoxy)phenyl]quinazoline-6-carboxamide CAS Name: 5-amino-7-tert-butyl-2-(methylthio)-4-[3-[2-(1-pyrrolidinyl)ethoxy]phenyl]-6-quinazolinecarboxamide IUPAC Name: 5-amino-7-tert-butyl-2-methylsulfanyl-4-[3-(2-pyrrolidin-1-ylethoxy)phenyl]quinazoline-6-carboxamide Traditional Name: 5-amino-7-tert-butyl-2-(methylthio)-4-[3-(2-pyrrolidinoethoxy)phenyl]quinazoline-6-carboxamide Formula: C26H33N5O2S MolecularWeight: 479.63752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C(=C1C(=O)N)N)C(=NC(=N2)SC)C3=CC(=CC=C3)OCCN4CCCC4

Isomeric SMILES

CC(C)(C)C1=CC2=C(C(=C1C(=O)N)N)C(=NC(=N2)SC)C3=CC(=CC=C3)OCCN4CCCC4

InChI

InChI=1S/C26H33N5O2S/c1-26(2,3)18-15-19-21(22(27)20(18)24(28)32)23(30-25(29-19)34-4)16-8-7-9-17(14-16)33-13-12-31-10-5-6-11-31/h7-9,14-15H,5-6,10-13,27H2,1-4H3,(H2,28,32)