N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]-2-pyridin-3-yl-quinazolin-4-amine

Systemtic Name: N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]-2-pyridin-3-yl-quinazolin-4-amine Openeye Name: N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]-2-(3-pyridyl)quinazolin-4-amine CAS Name: N-[(2R)-2-(4-methyl-1-piperazin-4-iumyl)-2-thiophen-2-ylethyl]-2-(3-pyridinyl)-4-quinazolinamine IUPAC Name: N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-ylethyl]-2-pyridin-3-ylquinazolin-4-amine Traditional Name: [(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]-[2-(3-pyridyl)quinazolin-4-yl]amine Formula: C24H27N6S+ MolecularWeight: 431.57638

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)C5=CC=CS5

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](CNC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)C5=CC=CS5

InChI

InChI=1S/C24H26N6S/c1-29-11-13-30(14-12-29)21(22-9-5-15-31-22)17-26-24-19-7-2-3-8-20(19)27-23(28-24)18-6-4-10-25-16-18/h2-10,15-16,21H,11-14,17H2,1H3,(H,26,27,28)/p+1/t21-/m1/s1