4-ethoxy-3-(5-methyl-4-oxidanylidene-7-prop-2-enyl-1H-pyrrolo[2,3-d]pyrimidin-2-yl)benzenesulfonyl chloride

Systemtic Name: 4-ethoxy-3-(5-methyl-4-oxidanylidene-7-prop-2-enyl-1H-pyrrolo[2,3-d]pyrimidin-2-yl)benzenesulfonyl chloride Openeye Name: 3-(7-allyl-5-methyl-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-2-yl)-4-ethoxy-benzenesulfonyl chloride CAS Name: 4-ethoxy-3-(5-methyl-4-oxo-7-prop-2-enyl-1H-pyrrolo[2,3-d]pyrimidin-2-yl)benzenesulfonyl chloride IUPAC Name: 4-ethoxy-3-(5-methyl-4-oxo-7-prop-2-enyl-1H-pyrrolo[2,3-d]pyrimidin-2-yl)benzenesulfonyl chloride Traditional Name: 3-(7-allyl-4-keto-5-methyl-1H-pyrrolo[2,3-d]pyrimidin-2-yl)-4-ethoxy-benzenesulfonyl chloride Formula: C18H18ClN3O4S MolecularWeight: 407.87122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)Cl)C2=NC(=O)C3=C(N2)N(C=C3C)CC=C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)Cl)C2=NC(=O)C3=C(N2)N(C=C3C)CC=C

InChI

InChI=1S/C18H18ClN3O4S/c1-4-8-22-10-11(3)15-17(22)20-16(21-18(15)23)13-9-12(27(19,24)25)6-7-14(13)26-5-2/h4,6-7,9-10H,1,5,8H2,2-3H3,(H,20,21,23)