2-chloranyl-3-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-naphthalene-1,4-dione

Systemtic Name: 2-chloranyl-3-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-naphthalene-1,4-dione Openeye Name: 2-(3-allyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-3-chloro-naphthalene-1,4-dione CAS Name: 2-chloro-3-[(5,6-dimethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]naphthalene-1,4-dione IUPAC Name: 2-chloro-3-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylnaphthalene-1,4-dione Traditional Name: 2-[(3-allyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-3-chloro-1,4-naphthoquinone Formula: C21H15ClN2O3S2 MolecularWeight: 442.9384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SC3=C(C(=O)C4=CC=CC=C4C3=O)Cl)CC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SC3=C(C(=O)C4=CC=CC=C4C3=O)Cl)CC=C)C

InChI

InChI=1S/C21H15ClN2O3S2/c1-4-9-24-20(27)14-10(2)11(3)28-19(14)23-21(24)29-18-15(22)16(25)12-7-5-6-8-13(12)17(18)26/h4-8H,1,9H2,2-3H3