6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(thiomorpholin-4-ylmethyl)quinazolin-4-amine

Systemtic Name: 6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(thiomorpholin-4-ylmethyl)quinazolin-4-amine Openeye Name: 6,7-diethoxy-N-[3-(2-methylthiazol-4-yl)phenyl]-2-(thiomorpholinomethyl)quinazolin-4-amine CAS Name: 6,7-diethoxy-N-[3-(2-methyl-4-thiazolyl)phenyl]-2-(thiomorpholin-4-ylmethyl)-4-quinazolinamine IUPAC Name: 6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(thiomorpholin-4-ylmethyl)quinazolin-4-amine Traditional Name: [6,7-diethoxy-2-(thiomorpholinomethyl)quinazolin-4-yl]-[3-(2-methylthiazol-4-yl)phenyl]amine Formula: C27H31N5O2S2 MolecularWeight: 521.69734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=NC(=N2)CN3CCSCC3)NC4=CC=CC(=C4)C5=CSC(=N5)C)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=NC(=N2)CN3CCSCC3)NC4=CC=CC(=C4)C5=CSC(=N5)C)OCC

InChI

InChI=1S/C27H31N5O2S2/c1-4-33-24-14-21-22(15-25(24)34-5-2)30-26(16-32-9-11-35-12-10-32)31-27(21)29-20-8-6-7-19(13-20)23-17-36-18(3)28-23/h6-8,13-15,17H,4-5,9-12,16H2,1-3H3,(H,29,30,31)