N2-(4-methylsulfanylphenyl)-N4-(3-pyrrolidin-1-ylpropyl)quinazoline-2,4-diamine

Systemtic Name: N2-(4-methylsulfanylphenyl)-N4-(3-pyrrolidin-1-ylpropyl)quinazoline-2,4-diamine Openeye Name: N2-(4-methylsulfanylphenyl)-N4-(3-pyrrolidin-1-ylpropyl)quinazoline-2,4-diamine CAS Name: N2-[4-(methylthio)phenyl]-N4-[3-(1-pyrrolidinyl)propyl]quinazoline-2,4-diamine IUPAC Name: 2-N-(4-methylsulfanylphenyl)-4-N-(3-pyrrolidin-1-ylpropyl)quinazoline-2,4-diamine Traditional Name: [2-[4-(methylthio)anilino]quinazolin-4-yl]-(3-pyrrolidinopropyl)amine Formula: C22H27N5S MolecularWeight: 393.54828

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)NCCCN4CCCC4

Isomeric SMILES

CSC1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)NCCCN4CCCC4

InChI

InChI=1S/C22H27N5S/c1-28-18-11-9-17(10-12-18)24-22-25-20-8-3-2-7-19(20)21(26-22)23-13-6-16-27-14-4-5-15-27/h2-3,7-12H,4-6,13-16H2,1H3,(H2,23,24,25,26)