N4-cyclopentyl-N2-[[2-[2-(methoxymethyl)phenyl]sulfanylphenyl]methyl]quinazoline-2,4-diamine

Systemtic Name: N4-cyclopentyl-N2-[[2-[2-(methoxymethyl)phenyl]sulfanylphenyl]methyl]quinazoline-2,4-diamine Openeye Name: N4-cyclopentyl-N2-[[2-[2-(methoxymethyl)phenyl]sulfanylphenyl]methyl]quinazoline-2,4-diamine CAS Name: N4-cyclopentyl-N2-[[2-[[2-(methoxymethyl)phenyl]thio]phenyl]methyl]quinazoline-2,4-diamine IUPAC Name: 4-N-cyclopentyl-2-N-[[2-[2-(methoxymethyl)phenyl]sulfanylphenyl]methyl]quinazoline-2,4-diamine Traditional Name: cyclopentyl-[2-[[2-[[2-(methoxymethyl)phenyl]thio]benzyl]amino]quinazolin-4-yl]amine Formula: C28H30N4OS MolecularWeight: 470.629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC=CC=C1SC2=CC=CC=C2CNC3=NC4=CC=CC=C4C(=N3)NC5CCCC5

Isomeric SMILES

COCC1=CC=CC=C1SC2=CC=CC=C2CNC3=NC4=CC=CC=C4C(=N3)NC5CCCC5

InChI

InChI=1S/C28H30N4OS/c1-33-19-21-11-3-9-17-26(21)34-25-16-8-2-10-20(25)18-29-28-31-24-15-7-6-14-23(24)27(32-28)30-22-12-4-5-13-22/h2-3,6-11,14-17,22H,4-5,12-13,18-19H2,1H3,(H2,29,30,31,32)