N4-(1,3-benzodioxol-5-ylmethyl)-N6-(3-methoxypropyl)pyrimidine-4,5,6-triamine

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

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC=NC(=C1N)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COCCCNC1=NC=NC(=C1N)NCC2=CC3=C(C=C2)OCO3

InChI

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