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

Systemtic Name: 6-azanyl-5-[2-(1-phenylbenzimidazol-2-yl)sulfanylethanoyl]-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-(1-phenylbenzimidazol-2-yl)sulfanylacetyl]-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[1-oxo-2-[(1-phenyl-2-benzimidazolyl)thio]ethyl]-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-(1-phenylbenzimidazol-2-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[(1-phenylbenzimidazol-2-yl)thio]acetyl]-1-propyl-pyrimidine-2,4-quinone Formula: C22H21N5O3S MolecularWeight: 435.49884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(=O)CSC2=NC3=CC=CC=C3N2C4=CC=CC=C4)N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(=O)CSC2=NC3=CC=CC=C3N2C4=CC=CC=C4)N

InChI

InChI=1S/C22H21N5O3S/c1-2-12-26-19(23)18(20(29)25-21(26)30)17(28)13-31-22-24-15-10-6-7-11-16(15)27(22)14-8-4-3-5-9-14/h3-11H,2,12-13,23H2,1H3,(H,25,29,30)