3,5,6-trimethyl-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)sulfanyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3,5,6-trimethyl-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)sulfanyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3,5,6-trimethyl-2-(4-morpholinosulfonyl-2-nitro-phenyl)sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3,5,6-trimethyl-2-[[4-(4-morpholinylsulfonyl)-2-nitrophenyl]thio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3,5,6-trimethyl-2-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)sulfanylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3,5,6-trimethyl-2-[(4-morpholinosulfonyl-2-nitro-phenyl)thio]thieno[2,3-d]pyrimidin-4-one Formula: C19H20N4O6S3 MolecularWeight: 496.5803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-])C)C

InChI

InChI=1S/C19H20N4O6S3/c1-11-12(2)30-17-16(11)18(24)21(3)19(20-17)31-15-5-4-13(10-14(15)23(25)26)32(27,28)22-6-8-29-9-7-22/h4-5,10H,6-9H2,1-3H3