4-ethoxy-3-(5-methyl-4-oxidanylidene-7-propyl-1H-pyrrolo[2,3-d]pyrimidin-2-yl)benzenesulfinic acid

Systemtic Name: 4-ethoxy-3-(5-methyl-4-oxidanylidene-7-propyl-1H-pyrrolo[2,3-d]pyrimidin-2-yl)benzenesulfinic acid Openeye Name: 4-ethoxy-3-(5-methyl-4-oxo-7-propyl-1H-pyrrolo[2,3-d]pyrimidin-2-yl)benzenesulfinic acid CAS Name: 4-ethoxy-3-(5-methyl-4-oxo-7-propyl-1H-pyrrolo[2,3-d]pyrimidin-2-yl)benzenesulfinic acid IUPAC Name: 4-ethoxy-3-(5-methyl-4-oxo-7-propyl-1H-pyrrolo[2,3-d]pyrimidin-2-yl)benzenesulfinic acid Traditional Name: 4-ethoxy-3-(4-keto-5-methyl-7-propyl-1H-pyrrolo[2,3-d]pyrimidin-2-yl)benzenesulfinic acid Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)O)OCC)C

Isomeric SMILES

CCCN1C=C(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)O)OCC)C

InChI

InChI=1S/C18H21N3O4S/c1-4-8-21-10-11(3)15-17(21)19-16(20-18(15)22)13-9-12(26(23)24)6-7-14(13)25-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,23,24)(H,19,20,22)