2-(4-ethanoyl-2-nitro-phenyl)sulfanyl-5,6-dimethyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(4-ethanoyl-2-nitro-phenyl)sulfanyl-5,6-dimethyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(4-acetyl-2-nitro-phenyl)sulfanyl-3-allyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-acetyl-2-nitrophenyl)thio]-5,6-dimethyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-(4-acetyl-2-nitrophenyl)sulfanyl-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-acetyl-2-nitro-phenyl)thio]-3-allyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C19H17N3O4S2 MolecularWeight: 415.48598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O4S2/c1-5-8-21-18(24)16-10(2)12(4)27-17(16)20-19(21)28-15-7-6-13(11(3)23)9-14(15)22(25)26/h5-7,9H,1,8H2,2-4H3