3,5,6-trimethyl-2-[2-(3-nitrophenoxy)ethylsulfanyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3,5,6-trimethyl-2-[2-(3-nitrophenoxy)ethylsulfanyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3,5,6-trimethyl-2-[2-(3-nitrophenoxy)ethylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3,5,6-trimethyl-2-[2-(3-nitrophenoxy)ethylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3,5,6-trimethyl-2-[2-(3-nitrophenoxy)ethylsulfanyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3,5,6-trimethyl-2-[2-(3-nitrophenoxy)ethylthio]thieno[2,3-d]pyrimidin-4-one Formula: C17H17N3O4S2 MolecularWeight: 391.46458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCCOC3=CC=CC(=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCCOC3=CC=CC(=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C17H17N3O4S2/c1-10-11(2)26-15-14(10)16(21)19(3)17(18-15)25-8-7-24-13-6-4-5-12(9-13)20(22)23/h4-6,9H,7-8H2,1-3H3