N4-(1,3-benzodioxol-5-yl)-5-nitro-N6-phenyl-pyrimidine-4,6-diamine

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-5-nitro-N6-phenyl-pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-5-nitro-N6-phenyl-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzodioxol-5-yl)-5-nitro-N6-phenylpyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-5-nitro-6-N-phenylpyrimidine-4,6-diamine Traditional Name: (6-anilino-5-nitro-pyrimidin-4-yl)-(1,3-benzodioxol-5-yl)amine Formula: C17H13N5O4 MolecularWeight: 351.31622

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=CC=C4

InChI

InChI=1S/C17H13N5O4/c23-22(24)15-16(20-11-4-2-1-3-5-11)18-9-19-17(15)21-12-6-7-13-14(8-12)26-10-25-13/h1-9H,10H2,(H2,18,19,20,21)