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

Systemtic Name: ethyl 4-(6-cyclopropyl-4-oxidanylidene-7-pyridin-3-yl-1H-pyrrolo[3,2-d]pyrimidin-5-yl)butanoate Openeye Name: ethyl 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]butanoic acid ethyl ester IUPAC Name: ethyl 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]butyric acid ethyl ester Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C(=C(C2=C1C(=O)N=CN2)C3=CN=CC=C3)C4CC4

Isomeric SMILES

CCOC(=O)CCCN1C(=C(C2=C1C(=O)N=CN2)C3=CN=CC=C3)C4CC4

InChI

InChI=1S/C20H22N4O3/c1-2-27-15(25)6-4-10-24-18(13-7-8-13)16(14-5-3-9-21-11-14)17-19(24)20(26)23-12-22-17/h3,5,9,11-13H,2,4,6-8,10H2,1H3,(H,22,23,26)