3-cyclopropyl-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-one

Systemtic Name: 3-cyclopropyl-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-one Openeye Name: 3-cyclopropyl-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-one CAS Name: 3-cyclopropyl-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-one IUPAC Name: 3-cyclopropyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-one Traditional Name: 3-cyclopropyl-2-[(2-keto-2-piperidino-ethyl)thio]-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-one Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2C4CC4)NC=C3C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2C4CC4)NC=C3C5=CC=CC=C5

InChI

InChI=1S/C22H24N4O2S/c27-18(25-11-5-2-6-12-25)14-29-22-24-19-17(15-7-3-1-4-8-15)13-23-20(19)21(28)26(22)16-9-10-16/h1,3-4,7-8,13,16,23H,2,5-6,9-12,14H2