6-azanyl-1-(2-methoxyethyl)-5-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1-(2-methoxyethyl)-5-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1-(2-methoxyethyl)-5-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-1-(2-methoxyethyl)-5-[1-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]ethyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1-(2-methoxyethyl)-5-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-quinone Formula: C16H21N5O5S MolecularWeight: 395.43344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)C2=C(N(C(=O)NC2=O)CCOC)N

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)C2=C(N(C(=O)NC2=O)CCOC)N

InChI

InChI=1S/C16H21N5O5S/c1-3-4-9-7-11(23)19-15(18-9)27-8-10(22)12-13(17)21(5-6-26-2)16(25)20-14(12)24/h7H,3-6,8,17H2,1-2H3,(H,18,19,23)(H,20,24,25)