N2-[4-(diethylamino)cyclohexyl]-N4-(4-methylsulfanylphenyl)quinazoline-2,4-diamine

Systemtic Name: N2-[4-(diethylamino)cyclohexyl]-N4-(4-methylsulfanylphenyl)quinazoline-2,4-diamine Openeye Name: N2-[4-(diethylamino)cyclohexyl]-N4-(4-methylsulfanylphenyl)quinazoline-2,4-diamine CAS Name: N2-[4-(diethylamino)cyclohexyl]-N4-[4-(methylthio)phenyl]quinazoline-2,4-diamine IUPAC Name: 2-N-[4-(diethylamino)cyclohexyl]-4-N-(4-methylsulfanylphenyl)quinazoline-2,4-diamine Traditional Name: diethyl-[4-[[4-[4-(methylthio)anilino]quinazolin-2-yl]amino]cyclohexyl]amine Formula: C25H33N5S MolecularWeight: 435.62802

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1CCC(CC1)NC2=NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)SC

Isomeric SMILES

CCN(CC)C1CCC(CC1)NC2=NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)SC

InChI

InChI=1S/C25H33N5S/c1-4-30(5-2)20-14-10-19(11-15-20)27-25-28-23-9-7-6-8-22(23)24(29-25)26-18-12-16-21(31-3)17-13-18/h6-9,12-13,16-17,19-20H,4-5,10-11,14-15H2,1-3H3,(H2,26,27,28,29)