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

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(4-methyl-1-piperazinyl)pyrimidine-4,5-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-methylpiperazino)pyrimidin-4-yl]-piperonyl-amine Formula: C17H22N6O2 MolecularWeight: 342.39558

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C17H22N6O2/c1-22-4-6-23(7-5-22)17-15(18)16(20-10-21-17)19-9-12-2-3-13-14(8-12)25-11-24-13/h2-3,8,10H,4-7,9,11,18H2,1H3,(H,19,20,21)