6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: 6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: 6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine CAS Name: 6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methyl-1-piperazinyl)-4-pyrimidinamine IUPAC Name: 6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: [6-(4-tert-butylphenyl)-2-(4-methylpiperazino)pyrimidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amine Formula: C27H33N5O2 MolecularWeight: 459.58322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC(=NC(=N2)N3CCN(CC3)C)NC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC(=NC(=N2)N3CCN(CC3)C)NC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C27H33N5O2/c1-27(2,3)20-7-5-19(6-8-20)22-18-25(30-26(29-22)32-13-11-31(4)12-14-32)28-21-9-10-23-24(17-21)34-16-15-33-23/h5-10,17-18H,11-16H2,1-4H3,(H,28,29,30)