N-(8-methylsulfanyloctyl)-N-(pyrazol-1-ylmethyl)quinazolin-4-amine

Systemtic Name: N-(8-methylsulfanyloctyl)-N-(pyrazol-1-ylmethyl)quinazolin-4-amine Openeye Name: N-(8-methylsulfanyloctyl)-N-(pyrazol-1-ylmethyl)quinazolin-4-amine CAS Name: N-[8-(methylthio)octyl]-N-(1-pyrazolylmethyl)-4-quinazolinamine IUPAC Name: N-(8-methylsulfanyloctyl)-N-(pyrazol-1-ylmethyl)quinazolin-4-amine Traditional Name: 8-(methylthio)octyl-(pyrazol-1-ylmethyl)-quinazolin-4-yl-amine Formula: C21H29N5S MolecularWeight: 383.55346

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCCCCCCN(CN1C=CC=N1)C2=NC=NC3=CC=CC=C32

Isomeric SMILES

CSCCCCCCCCN(CN1C=CC=N1)C2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C21H29N5S/c1-27-16-9-5-3-2-4-8-14-25(18-26-15-10-13-24-26)21-19-11-6-7-12-20(19)22-17-23-21/h6-7,10-13,15,17H,2-5,8-9,14,16,18H2,1H3