5-nitro-N6-phenethyl-N4-pyridin-3-yl-pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N6-phenethyl-N4-pyridin-3-yl-pyrimidine-4,6-diamine Openeye Name: 5-nitro-N6-phenethyl-N4-(3-pyridyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-phenethyl-N4-(3-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 5-nitro-6-N-phenethyl-4-N-pyridin-3-ylpyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(phenethylamino)pyrimidin-4-yl]-(3-pyridyl)amine Formula: C17H16N6O2 MolecularWeight: 336.34794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CN=CC=C3

InChI

InChI=1S/C17H16N6O2/c24-23(25)15-16(19-10-8-13-5-2-1-3-6-13)20-12-21-17(15)22-14-7-4-9-18-11-14/h1-7,9,11-12H,8,10H2,(H2,19,20,21,22)