6-(3,5-dimethylphenoxy)-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

Systemtic Name: 6-(3,5-dimethylphenoxy)-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine Openeye Name: 6-(3,5-dimethylphenoxy)-5-nitro-N-(3-pyridylmethyl)pyrimidin-4-amine CAS Name: 6-(3,5-dimethylphenoxy)-5-nitro-N-(3-pyridinylmethyl)-4-pyrimidinamine IUPAC Name: 6-(3,5-dimethylphenoxy)-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine Traditional Name: [6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCC3=CN=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCC3=CN=CC=C3)C

InChI

InChI=1S/C18H17N5O3/c1-12-6-13(2)8-15(7-12)26-18-16(23(24)25)17(21-11-22-18)20-10-14-4-3-5-19-9-14/h3-9,11H,10H2,1-2H3,(H,20,21,22)