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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4,N4-bis(2-methylpropyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4,N4-diisobutyl-pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4,N4-bis(2-methylpropyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(piperonylamino)pyrimidin-4-yl]-diisobutyl-amine Formula: C20H29N5O2 MolecularWeight: 371.47656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C1=NC=NC(=C1N)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)CN(CC(C)C)C1=NC=NC(=C1N)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H29N5O2/c1-13(2)9-25(10-14(3)4)20-18(21)19(23-11-24-20)22-8-15-5-6-16-17(7-15)27-12-26-16/h5-7,11,13-14H,8-10,12,21H2,1-4H3,(H,22,23,24)