N6-(1,3-benzodioxol-5-ylmethyl)-N4-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(4-isopropylphenyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine Traditional Name: (5-amino-6-cumidino-pyrimidin-4-yl)-piperonyl-amine Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C21H23N5O2/c1-13(2)15-4-6-16(7-5-15)26-21-19(22)20(24-11-25-21)23-10-14-3-8-17-18(9-14)28-12-27-17/h3-9,11,13H,10,12,22H2,1-2H3,(H2,23,24,25,26)