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

Systemtic Name: 3,5,6-trimethyl-2-[(4-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3,5,6-trimethyl-2-[(4-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3,5,6-trimethyl-2-[(4-nitrophenyl)methylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3,5,6-trimethyl-2-[(4-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3,5,6-trimethyl-2-[(4-nitrobenzyl)thio]thieno[2,3-d]pyrimidin-4-one Formula: C16H15N3O3S2 MolecularWeight: 361.4386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C16H15N3O3S2/c1-9-10(2)24-14-13(9)15(20)18(3)16(17-14)23-8-11-4-6-12(7-5-11)19(21)22/h4-7H,8H2,1-3H3