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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(2-methoxy-1-methyl-ethyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-[(2-methoxy-1-methyl-ethyl)amino]pyrimidin-4-yl]-piperonyl-amine Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC1=NC=NC(=C1N)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(COC)NC1=NC=NC(=C1N)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H21N5O3/c1-10(7-22-2)21-16-14(17)15(19-8-20-16)18-6-11-3-4-12-13(5-11)24-9-23-12/h3-5,8,10H,6-7,9,17H2,1-2H3,(H2,18,19,20,21)