N4-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-N6-benzyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-6-N-benzyl-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[5-nitro-6-(piperonylamino)pyrimidin-4-yl]amine Formula: C19H17N5O4 MolecularWeight: 379.36938

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3[N+](=O)[O-])NCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3[N+](=O)[O-])NCC4=CC=CC=C4

InChI

InChI=1S/C19H17N5O4/c25-24(26)17-18(20-9-13-4-2-1-3-5-13)22-11-23-19(17)21-10-14-6-7-15-16(8-14)28-12-27-15/h1-8,11H,9-10,12H2,(H2,20,21,22,23)