4-(3-chloranyl-4-methoxy-phenyl)-5-(4-ethanoylphenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile

Systemtic Name: 4-(3-chloranyl-4-methoxy-phenyl)-5-(4-ethanoylphenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile Openeye Name: 5-(4-acetylphenyl)-4-(3-chloro-4-methoxy-phenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile CAS Name: 5-(4-acetylphenyl)-4-(3-chloro-4-methoxyphenyl)-7-pyrrolo[3,2-d]pyrimidinecarbonitrile IUPAC Name: 5-(4-acetylphenyl)-4-(3-chloro-4-methoxyphenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile Traditional Name: 5-(4-acetylphenyl)-4-(3-chloro-4-methoxy-phenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile Formula: C22H15ClN4O2 MolecularWeight: 402.8331

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2C=C(C3=C2C(=NC=N3)C4=CC(=C(C=C4)OC)Cl)C#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2C=C(C3=C2C(=NC=N3)C4=CC(=C(C=C4)OC)Cl)C#N

InChI

InChI=1S/C22H15ClN4O2/c1-13(28)14-3-6-17(7-4-14)27-11-16(10-24)21-22(27)20(25-12-26-21)15-5-8-19(29-2)18(23)9-15/h3-9,11-12H,1-2H3