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

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-N6-(3-methylbutyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-N6-isopentyl-pyrimidine-4,5,6-triamine CAS Name: N4-(1,3-benzodioxol-5-yl)-N6-(3-methylbutyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-isoamyl-amine Formula: C16H21N5O2 MolecularWeight: 315.37024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC=NC(=C1N)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)CCNC1=NC=NC(=C1N)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H21N5O2/c1-10(2)5-6-18-15-14(17)16(20-8-19-15)21-11-3-4-12-13(7-11)23-9-22-12/h3-4,7-8,10H,5-6,9,17H2,1-2H3,(H2,18,19,20,21)