N-butyl-2-[(3-cyclopropyl-4-oxidanylidene-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-butyl-2-[(3-cyclopropyl-4-oxidanylidene-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-butyl-2-[(3-cyclopropyl-4-oxo-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-butyl-2-[(3-cyclopropyl-4-oxo-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)thio]acetamide IUPAC Name: N-butyl-2-[(3-cyclopropyl-4-oxo-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-butyl-2-[(3-cyclopropyl-4-keto-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)thio]acetamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC2=C(C(=O)N1C3CC3)NC=C2C4=CC=CC=C4

Isomeric SMILES

CCCCNC(=O)CSC1=NC2=C(C(=O)N1C3CC3)NC=C2C4=CC=CC=C4

InChI

InChI=1S/C21H24N4O2S/c1-2-3-11-22-17(26)13-28-21-24-18-16(14-7-5-4-6-8-14)12-23-19(18)20(27)25(21)15-9-10-15/h4-8,12,15,23H,2-3,9-11,13H2,1H3,(H,22,26)