N-(1-benzothiophen-2-ylmethyl)-6-chloranyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine

Systemtic Name: N-(1-benzothiophen-2-ylmethyl)-6-chloranyl-2-(4-methylpiperazin-1-yl)quinazolin-4-amine Openeye Name: N-(benzothiophen-2-ylmethyl)-6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-amine CAS Name: N-(1-benzothiophen-2-ylmethyl)-6-chloro-2-(4-methyl-1-piperazinyl)-4-quinazolinamine IUPAC Name: N-(1-benzothiophen-2-ylmethyl)-6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-amine Traditional Name: benzothiophen-2-ylmethyl-[6-chloro-2-(4-methylpiperazino)quinazolin-4-yl]amine Formula: C22H22ClN5S MolecularWeight: 423.96158

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=C(C=C(C=C3)Cl)C(=N2)NCC4=CC5=CC=CC=C5S4

Isomeric SMILES

CN1CCN(CC1)C2=NC3=C(C=C(C=C3)Cl)C(=N2)NCC4=CC5=CC=CC=C5S4

InChI

InChI=1S/C22H22ClN5S/c1-27-8-10-28(11-9-27)22-25-19-7-6-16(23)13-18(19)21(26-22)24-14-17-12-15-4-2-3-5-20(15)29-17/h2-7,12-13H,8-11,14H2,1H3,(H,24,25,26)