N2-[2-(1,3-benzodioxol-4-yl)ethyl]-N4-(1-phenylethyl)pyrimidine-2,4-diamine

Systemtic Name: N2-[2-(1,3-benzodioxol-4-yl)ethyl]-N4-(1-phenylethyl)pyrimidine-2,4-diamine Openeye Name: N2-[2-(1,3-benzodioxol-4-yl)ethyl]-N4-(1-phenylethyl)pyrimidine-2,4-diamine CAS Name: N2-[2-(1,3-benzodioxol-4-yl)ethyl]-N4-(1-phenylethyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-[2-(1,3-benzodioxol-4-yl)ethyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine Traditional Name: 2-(1,3-benzodioxol-4-yl)ethyl-[4-(1-phenylethylamino)pyrimidin-2-yl]amine Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC(=NC=C2)NCCC3=C4C(=CC=C3)OCO4

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC(=NC=C2)NCCC3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C21H22N4O2/c1-15(16-6-3-2-4-7-16)24-19-11-13-23-21(25-19)22-12-10-17-8-5-9-18-20(17)27-14-26-18/h2-9,11,13,15H,10,12,14H2,1H3,(H2,22,23,24,25)