4-(5-nitrothiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine

Systemtic Name: 4-(5-nitrothiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine Openeye Name: 4-(5-nitro-2-thienyl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine CAS Name: 4-(5-nitro-2-thiophenyl)-N-(3,4,5-trimethoxyphenyl)-2-pyrimidinamine IUPAC Name: 4-(5-nitrothiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine Traditional Name: [4-(5-nitro-2-thienyl)pyrimidin-2-yl]-(3,4,5-trimethoxyphenyl)amine Formula: C17H16N4O5S MolecularWeight: 388.39774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=NC=CC(=N2)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=NC=CC(=N2)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O5S/c1-24-12-8-10(9-13(25-2)16(12)26-3)19-17-18-7-6-11(20-17)14-4-5-15(27-14)21(22)23/h4-9H,1-3H3,(H,18,19,20)