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

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-N6-(3-methylbutyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-N6-isopentyl-pyrimidine-4,5,6-triamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-N6-(3-methylbutyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(isoamylamino)pyrimidin-4-yl]-piperonyl-amine Formula: C17H23N5O2 MolecularWeight: 329.39682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC=NC(=C1N)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)CCNC1=NC=NC(=C1N)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H23N5O2/c1-11(2)5-6-19-16-15(18)17(22-9-21-16)20-8-12-3-4-13-14(7-12)24-10-23-13/h3-4,7,9,11H,5-6,8,10,18H2,1-2H3,(H2,19,20,21,22)