N-(4-tert-butylphenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine

Systemtic Name: N-(4-tert-butylphenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine Openeye Name: N-(4-tert-butylphenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine CAS Name: N-(4-tert-butylphenyl)-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinamine IUPAC Name: N-(4-tert-butylphenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine Traditional Name: (4-tert-butylphenyl)-[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]amine Formula: C27H31N7 MolecularWeight: 453.58194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)CN4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)CN4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C27H31N7/c1-27(2,3)20-9-11-21(12-10-20)30-25-22-7-4-5-8-23(22)31-24(32-25)19-33-15-17-34(18-16-33)26-28-13-6-14-29-26/h4-14H,15-19H2,1-3H3,(H,30,31,32)