5,6-dimethyl-2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-5,6-dimethyl-2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[(1R)-1-(3-nitrophenyl)ethyl]thio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5,6-dimethyl-2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-5,6-dimethyl-2-[[(1R)-1-(3-nitrophenyl)ethyl]thio]thieno[2,3-d]pyrimidin-4-one Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O3S2/c1-5-9-21-18(23)16-11(2)12(3)26-17(16)20-19(21)27-13(4)14-7-6-8-15(10-14)22(24)25/h5-8,10,13H,1,9H2,2-4H3/t13-/m1/s1