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

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4-(4-methyl-1-piperazinyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-(4-methylpiperazino)amine Formula: C16H21N7O2 MolecularWeight: 343.38364

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC2=NC=NC(=C2N)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1CCN(CC1)NC2=NC=NC(=C2N)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H21N7O2/c1-22-4-6-23(7-5-22)21-16-14(17)15(18-9-19-16)20-11-2-3-12-13(8-11)25-10-24-12/h2-3,8-9H,4-7,10,17H2,1H3,(H2,18,19,20,21)