N-(5-nitro-1,3-thiazol-2-yl)-1-(7-phenylpteridin-4-yl)piperidine-4-carboxamide

Systemtic Name: N-(5-nitro-1,3-thiazol-2-yl)-1-(7-phenylpteridin-4-yl)piperidine-4-carboxamide Openeye Name: N-(5-nitrothiazol-2-yl)-1-(7-phenylpteridin-4-yl)piperidine-4-carboxamide CAS Name: N-(5-nitro-2-thiazolyl)-1-(7-phenyl-4-pteridinyl)-4-piperidinecarboxamide IUPAC Name: N-(5-nitro-1,3-thiazol-2-yl)-1-(7-phenylpteridin-4-yl)piperidine-4-carboxamide Traditional Name: N-(5-nitrothiazol-2-yl)-1-(7-phenylpteridin-4-yl)isonipecotamide Formula: C21H18N8O3S MolecularWeight: 462.48442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=NC=C(S2)[N+](=O)[O-])C3=NC=NC4=NC(=CN=C43)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NC=C(S2)[N+](=O)[O-])C3=NC=NC4=NC(=CN=C43)C5=CC=CC=C5

InChI

InChI=1S/C21H18N8O3S/c30-20(27-21-23-11-16(33-21)29(31)32)14-6-8-28(9-7-14)19-17-18(24-12-25-19)26-15(10-22-17)13-4-2-1-3-5-13/h1-5,10-12,14H,6-9H2,(H,23,27,30)