ethyl 4-[7-cyano-4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolo[3,2-d]pyrimidin-5-yl]benzoate

Systemtic Name: ethyl 4-[7-cyano-4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolo[3,2-d]pyrimidin-5-yl]benzoate Openeye Name: ethyl 4-[7-cyano-4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolo[3,2-d]pyrimidin-5-yl]benzoate CAS Name: 4-[7-cyano-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyrrolo[3,2-d]pyrimidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[7-cyano-4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolo[3,2-d]pyrimidin-5-yl]benzoate Traditional Name: 4-[7-cyano-4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolo[3,2-d]pyrimidin-5-yl]benzoic acid ethyl ester Formula: C24H18N4O4 MolecularWeight: 426.42412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C=C(C3=C2C(=NC=N3)C4=CC5=C(C=C4)OCCO5)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C=C(C3=C2C(=NC=N3)C4=CC5=C(C=C4)OCCO5)C#N

InChI

InChI=1S/C24H18N4O4/c1-2-30-24(29)15-3-6-18(7-4-15)28-13-17(12-25)22-23(28)21(26-14-27-22)16-5-8-19-20(11-16)32-10-9-31-19/h3-8,11,13-14H,2,9-10H2,1H3