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

Systemtic Name: 6,7-diethoxy-2-[(4-methylpiperazin-1-yl)methyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine Openeye Name: 6,7-diethoxy-2-[(4-methylpiperazin-1-yl)methyl]-N-[3-(2-methylthiazol-4-yl)phenyl]quinazolin-4-amine CAS Name: 6,7-diethoxy-2-[(4-methyl-1-piperazinyl)methyl]-N-[3-(2-methyl-4-thiazolyl)phenyl]-4-quinazolinamine IUPAC Name: 6,7-diethoxy-2-[(4-methylpiperazin-1-yl)methyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine Traditional Name: [6,7-diethoxy-2-[(4-methylpiperazino)methyl]quinazolin-4-yl]-[3-(2-methylthiazol-4-yl)phenyl]amine Formula: C28H34N6O2S MolecularWeight: 518.67356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=NC(=N2)CN3CCN(CC3)C)NC4=CC=CC(=C4)C5=CSC(=N5)C)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=NC(=N2)CN3CCN(CC3)C)NC4=CC=CC(=C4)C5=CSC(=N5)C)OCC

InChI

InChI=1S/C28H34N6O2S/c1-5-35-25-15-22-23(16-26(25)36-6-2)31-27(17-34-12-10-33(4)11-13-34)32-28(22)30-21-9-7-8-20(14-21)24-18-37-19(3)29-24/h7-9,14-16,18H,5-6,10-13,17H2,1-4H3,(H,30,31,32)