4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-ethanoylphenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-ethanoylphenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile Openeye Name: 5-(4-acetylphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile CAS Name: 5-(4-acetylphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-pyrrolo[3,2-d]pyrimidinecarbonitrile IUPAC Name: 5-(4-acetylphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile Traditional Name: 5-(4-acetylphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile Formula: C23H16N4O3 MolecularWeight: 396.39814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H16N4O3/c1-14(28)15-2-5-18(6-3-15)27-12-17(11-24)22-23(27)21(25-13-26-22)16-4-7-19-20(10-16)30-9-8-29-19/h2-7,10,12-13H,8-9H2,1H3