5-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile Openeye Name: 5-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile CAS Name: 5-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)-7-pyrrolo[3,2-d]pyrimidinecarbonitrile IUPAC Name: 5-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile Traditional Name: 5-(1,3-benzodioxol-5-yl)-4-(4-chlorophenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile Formula: C20H11ClN4O2 MolecularWeight: 374.77994

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N3C=C(C4=C3C(=NC=N4)C5=CC=C(C=C5)Cl)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3C=C(C4=C3C(=NC=N4)C5=CC=C(C=C5)Cl)C#N

InChI

InChI=1S/C20H11ClN4O2/c21-14-3-1-12(2-4-14)18-20-19(24-10-23-18)13(8-22)9-25(20)15-5-6-16-17(7-15)27-11-26-16/h1-7,9-10H,11H2