6-azanyl-1-(2-methoxyethyl)-5-[2-(1-phenylbenzimidazol-2-yl)sulfanylethanoyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1-(2-methoxyethyl)-5-[2-(1-phenylbenzimidazol-2-yl)sulfanylethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1-(2-methoxyethyl)-5-[2-(1-phenylbenzimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione CAS Name: 6-amino-1-(2-methoxyethyl)-5-[1-oxo-2-[(1-phenyl-2-benzimidazolyl)thio]ethyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1-(2-methoxyethyl)-5-[2-(1-phenylbenzimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-(2-methoxyethyl)-5-[2-[(1-phenylbenzimidazol-2-yl)thio]acetyl]pyrimidine-2,4-quinone Formula: C22H21N5O4S MolecularWeight: 451.49824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=C(C(=O)NC1=O)C(=O)CSC2=NC3=CC=CC=C3N2C4=CC=CC=C4)N

Isomeric SMILES

COCCN1C(=C(C(=O)NC1=O)C(=O)CSC2=NC3=CC=CC=C3N2C4=CC=CC=C4)N

InChI

InChI=1S/C22H21N5O4S/c1-31-12-11-26-19(23)18(20(29)25-21(26)30)17(28)13-32-22-24-15-9-5-6-10-16(15)27(22)14-7-3-2-4-8-14/h2-10H,11-13,23H2,1H3,(H,25,29,30)