2-(furan-2-ylmethylamino)-N-(2-oxidanylideneazepan-3-yl)pyrimidine-5-carboxamide

Systemtic Name: 2-(furan-2-ylmethylamino)-N-(2-oxidanylideneazepan-3-yl)pyrimidine-5-carboxamide Openeye Name: 2-(2-furylmethylamino)-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide CAS Name: 2-(2-furanylmethylamino)-N-(2-oxo-3-azepanyl)-5-pyrimidinecarboxamide IUPAC Name: 2-(furan-2-ylmethylamino)-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide Traditional Name: 2-(2-furfurylamino)-N-(2-ketoazepan-3-yl)pyrimidine-5-carboxamide Formula: C16H19N5O3 MolecularWeight: 329.35376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CN=C(N=C2)NCC3=CC=CO3

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)C2=CN=C(N=C2)NCC3=CC=CO3

InChI

InChI=1S/C16H19N5O3/c22-14(21-13-5-1-2-6-17-15(13)23)11-8-18-16(19-9-11)20-10-12-4-3-7-24-12/h3-4,7-9,13H,1-2,5-6,10H2,(H,17,23)(H,21,22)(H,18,19,20)