N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-ethyl-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-ethyl-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-ethyl-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-ethyl-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-ethyl-2-(2-pyrimidylthio)acetamide Formula: C16H22N6O3S MolecularWeight: 378.44928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)CSC2=NC=CC=N2)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)CSC2=NC=CC=N2)N

InChI

InChI=1S/C16H22N6O3S/c1-3-5-9-22-13(17)12(14(24)20-16(22)25)21(4-2)11(23)10-26-15-18-7-6-8-19-15/h6-8H,3-5,9-10,17H2,1-2H3,(H,20,24,25)