ethyl 4-[3-(4-oxidanylidene-2-sulfanylidene-1H-pyrrolo[2,3-d]pyrimidin-7-yl)propylamino]benzoate

Systemtic Name: ethyl 4-[3-(4-oxidanylidene-2-sulfanylidene-1H-pyrrolo[2,3-d]pyrimidin-7-yl)propylamino]benzoate Openeye Name: ethyl 4-[3-(4-oxo-2-thioxo-1H-pyrrolo[2,3-d]pyrimidin-7-yl)propylamino]benzoate CAS Name: 4-[3-(4-oxo-2-sulfanylidene-1H-pyrrolo[2,3-d]pyrimidin-7-yl)propylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-oxo-2-sulfanylidene-1H-pyrrolo[2,3-d]pyrimidin-7-yl)propylamino]benzoate Traditional Name: 4-[3-(4-keto-2-thioxo-1H-pyrrolo[2,3-d]pyrimidin-7-yl)propylamino]benzoic acid ethyl ester Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCCCN2C=CC3=C2NC(=S)NC3=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCCCN2C=CC3=C2NC(=S)NC3=O

InChI

InChI=1S/C18H20N4O3S/c1-2-25-17(24)12-4-6-13(7-5-12)19-9-3-10-22-11-8-14-15(22)20-18(26)21-16(14)23/h4-8,11,19H,2-3,9-10H2,1H3,(H2,20,21,23,26)