6-azanyl-1,3-dimethyl-5-[2-[4-oxidanylidene-3-(pyridin-4-ylmethyl)quinazolin-2-yl]sulfanylethanoyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1,3-dimethyl-5-[2-[4-oxidanylidene-3-(pyridin-4-ylmethyl)quinazolin-2-yl]sulfanylethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1,3-dimethyl-5-[2-[4-oxo-3-(4-pyridylmethyl)quinazolin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione CAS Name: 6-amino-1,3-dimethyl-5-[1-oxo-2-[[4-oxo-3-(pyridin-4-ylmethyl)-2-quinazolinyl]thio]ethyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1,3-dimethyl-5-[2-[4-oxo-3-(pyridin-4-ylmethyl)quinazolin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[[4-keto-3-(4-pyridylmethyl)quinazolin-2-yl]thio]acetyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C22H20N6O4S MolecularWeight: 464.497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=NC=C4)N

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=NC=C4)N

InChI

InChI=1S/C22H20N6O4S/c1-26-18(23)17(20(31)27(2)22(26)32)16(29)12-33-21-25-15-6-4-3-5-14(15)19(30)28(21)11-13-7-9-24-10-8-13/h3-10H,11-12,23H2,1-2H3