5-azanyl-7-tert-butyl-4-(2-ethoxy-3-pyrrolidin-1-yl-phenyl)-2-methylsulfanyl-quinazoline-6-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=C1N2CCCC2)C3=NC(=NC4=C3C(=C(C(=C4)C(C)(C)C)C(=O)N)N)SC

Isomeric SMILES

CCOC1=C(C=CC=C1N2CCCC2)C3=NC(=NC4=C3C(=C(C(=C4)C(C)(C)C)C(=O)N)N)SC

InChI

InChI=1S/C26H33N5O2S/c1-6-33-23-15(10-9-11-18(23)31-12-7-8-13-31)22-20-17(29-25(30-22)34-5)14-16(26(2,3)4)19(21(20)27)24(28)32/h9-11,14H,6-8,12-13,27H2,1-5H3,(H2,28,32)