5-nitro-N4-quinolin-8-yl-pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4-quinolin-8-yl-pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-(8-quinolyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(8-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N-quinolin-8-ylpyrimidine-4,6-diamine Traditional Name: (6-amino-5-nitro-pyrimidin-4-yl)-(8-quinolyl)amine Formula: C13H10N6O2 MolecularWeight: 282.2575

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)NC3=NC=NC(=C3[N+](=O)[O-])N)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)NC3=NC=NC(=C3[N+](=O)[O-])N)N=CC=C2

InChI

InChI=1S/C13H10N6O2/c14-12-11(19(20)21)13(17-7-16-12)18-9-5-1-3-8-4-2-6-15-10(8)9/h1-7H,(H3,14,16,17,18)