6-(4-tert-butylphenyl)-N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N2-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine

Systemtic Name: 6-(4-tert-butylphenyl)-N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N2-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine Openeye Name: 6-(4-tert-butylphenyl)-N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N2-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine CAS Name: 6-(4-tert-butylphenyl)-N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N2-[2-(1-pyrrolidinyl)ethyl]pyrimidine-2,4-diamine IUPAC Name: 6-(4-tert-butylphenyl)-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine Traditional Name: [4-(4-tert-butylphenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-2-yl]-(2-pyrrolidinoethyl)amine Formula: C28H35N5O2 MolecularWeight: 473.6098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC(=NC(=N2)NCCN3CCCC3)NC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC(=NC(=N2)NCCN3CCCC3)NC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C28H35N5O2/c1-28(2,3)21-8-6-20(7-9-21)23-19-26(30-22-10-11-24-25(18-22)35-17-16-34-24)32-27(31-23)29-12-15-33-13-4-5-14-33/h6-11,18-19H,4-5,12-17H2,1-3H3,(H2,29,30,31,32)