N4-(1,3-benzodioxol-5-ylmethyl)-6-(4-propan-2-ylphenoxy)pyrimidine-4,5-diamine

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(4-propan-2-ylphenoxy)pyrimidine-4,5-diamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(4-isopropylphenoxy)pyrimidine-4,5-diamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(4-propan-2-ylphenoxy)pyrimidine-4,5-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-6-(4-propan-2-ylphenoxy)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-isopropylphenoxy)pyrimidin-4-yl]-piperonyl-amine Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2N)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2N)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N4O3/c1-13(2)15-4-6-16(7-5-15)28-21-19(22)20(24-11-25-21)23-10-14-3-8-17-18(9-14)27-12-26-17/h3-9,11,13H,10,12,22H2,1-2H3,(H,23,24,25)