ethyl 2-[(4-oxidanylidene-3,7-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]ethanoate

Systemtic Name: ethyl 2-[(4-oxidanylidene-3,7-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(4-oxo-3,7-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[(4-oxo-3,7-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4-oxo-3,7-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetate Traditional Name: 2-[(4-keto-3,7-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)thio]acetic acid ethyl ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C(=O)N1C3=CC=CC=C3)NC=C2C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C(=O)N1C3=CC=CC=C3)NC=C2C4=CC=CC=C4

InChI

InChI=1S/C22H19N3O3S/c1-2-28-18(26)14-29-22-24-19-17(15-9-5-3-6-10-15)13-23-20(19)21(27)25(22)16-11-7-4-8-12-16/h3-13,23H,2,14H2,1H3