N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine

Systemtic Name: N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine Openeye Name: N-(2-chloro-5-morpholinosulfonyl-phenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine CAS Name: N-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinamine IUPAC Name: N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine Traditional Name: (2-chloro-5-morpholinosulfonyl-phenyl)-[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]amine Formula: C27H29ClN8O3S MolecularWeight: 581.08896

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)NC4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)Cl)C6=NC=CC=N6

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)NC4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)Cl)C6=NC=CC=N6

InChI

InChI=1S/C27H29ClN8O3S/c28-22-7-6-20(40(37,38)36-14-16-39-17-15-36)18-24(22)32-26-21-4-1-2-5-23(21)31-25(33-26)19-34-10-12-35(13-11-34)27-29-8-3-9-30-27/h1-9,18H,10-17,19H2,(H,31,32,33)