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

Systemtic Name: 5,6-dimethyl-2-[(3-nitrophenyl)methylsulfanyl]-3-propan-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-isopropyl-5,6-dimethyl-2-[(3-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[(3-nitrophenyl)methylthio]-3-propan-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5,6-dimethyl-2-[(3-nitrophenyl)methylsulfanyl]-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-isopropyl-5,6-dimethyl-2-[(3-nitrobenzyl)thio]thieno[2,3-d]pyrimidin-4-one Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3S2/c1-10(2)20-17(22)15-11(3)12(4)26-16(15)19-18(20)25-9-13-6-5-7-14(8-13)21(23)24/h5-8,10H,9H2,1-4H3