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

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methoxyphenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methoxyphenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methoxyphenyl)-7-pyrrolo[3,2-d]pyrimidinecarbonitrile IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methoxyphenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methoxyphenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile Formula: C22H16N4O3 MolecularWeight: 384.38744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(C3=C2C(=NC=N3)C4=CC5=C(C=C4)OCCO5)C#N

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C3=C2C(=NC=N3)C4=CC5=C(C=C4)OCCO5)C#N

InChI

InChI=1S/C22H16N4O3/c1-27-17-5-3-16(4-6-17)26-12-15(11-23)21-22(26)20(24-13-25-21)14-2-7-18-19(10-14)29-9-8-28-18/h2-7,10,12-13H,8-9H2,1H3