4-(6-cyclopropyl-4-oxidanylidene-7-pyridin-3-yl-1H-pyrrolo[3,2-d]pyrimidin-5-yl)butanoate

Systemtic Name: 4-(6-cyclopropyl-4-oxidanylidene-7-pyridin-3-yl-1H-pyrrolo[3,2-d]pyrimidin-5-yl)butanoate Openeye Name: 4-[6-cyclopropyl-4-oxo-7-(3-pyridyl)-1H-pyrrolo[3,2-d]pyrimidin-5-yl]butanoate CAS Name: 4-[6-cyclopropyl-4-oxo-7-(3-pyridinyl)-1H-pyrrolo[3,2-d]pyrimidin-5-yl]butanoate IUPAC Name: 4-(6-cyclopropyl-4-oxo-7-pyridin-3-yl-1H-pyrrolo[3,2-d]pyrimidin-5-yl)butanoate Traditional Name: 4-[6-cyclopropyl-4-keto-7-(3-pyridyl)-1H-pyrrolo[3,2-d]pyrimidin-5-yl]butyrate Formula: C18H17N4O3- MolecularWeight: 337.35258

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C3=C(N2CCCC(=O)[O-])C(=O)N=CN3)C4=CN=CC=C4

Isomeric SMILES

C1CC1C2=C(C3=C(N2CCCC(=O)[O-])C(=O)N=CN3)C4=CN=CC=C4

InChI

InChI=1S/C18H18N4O3/c23-13(24)4-2-8-22-16(11-5-6-11)14(12-3-1-7-19-9-12)15-17(22)18(25)21-10-20-15/h1,3,7,9-11H,2,4-6,8H2,(H,23,24)(H,20,21,25)/p-1