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

Systemtic Name: N2-(4-methylsulfanylphenyl)-N4-(2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine Openeye Name: N2-(4-methylsulfanylphenyl)-N4-(2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine CAS Name: N2-[4-(methylthio)phenyl]-N4-[2-(1-pyrrolidinyl)ethyl]quinazoline-2,4-diamine IUPAC Name: 2-N-(4-methylsulfanylphenyl)-4-N-(2-pyrrolidin-1-ylethyl)quinazoline-2,4-diamine Traditional Name: [2-[4-(methylthio)anilino]quinazolin-4-yl]-(2-pyrrolidinoethyl)amine Formula: C21H25N5S MolecularWeight: 379.5217

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)NCCN4CCCC4

Isomeric SMILES

CSC1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)NCCN4CCCC4

InChI

InChI=1S/C21H25N5S/c1-27-17-10-8-16(9-11-17)23-21-24-19-7-3-2-6-18(19)20(25-21)22-12-15-26-13-4-5-14-26/h2-3,6-11H,4-5,12-15H2,1H3,(H2,22,23,24,25)