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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(4-methyl-1-piperazinyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-[(4-methylpiperazino)amino]pyrimidin-4-yl]-piperonyl-amine Formula: C17H23N7O2 MolecularWeight: 357.41022

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC2=NC=NC(=C2N)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1CCN(CC1)NC2=NC=NC(=C2N)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H23N7O2/c1-23-4-6-24(7-5-23)22-17-15(18)16(20-10-21-17)19-9-12-2-3-13-14(8-12)26-11-25-13/h2-3,8,10H,4-7,9,11,18H2,1H3,(H2,19,20,21,22)