4-azanyl-6-butoxy-2-phenyl-3-(phenylmethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-6-butoxy-2-phenyl-3-(phenylmethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile Openeye Name: 4-amino-3-benzyl-6-butoxy-2-phenyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile CAS Name: 4-amino-6-butoxy-2-phenyl-3-(phenylmethyl)-5-pyrrolo[2,3-d]pyrimidinecarbonitrile IUPAC Name: 4-amino-3-benzyl-6-butoxy-2-phenylpyrrolo[2,3-d]pyrimidine-5-carbonitrile Traditional Name: 4-amino-3-benzyl-6-butoxy-2-phenyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile Formula: C24H23N5O MolecularWeight: 397.47232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C2=C(N(C(=NC2=N1)C3=CC=CC=C3)CC4=CC=CC=C4)N)C#N

Isomeric SMILES

CCCCOC1=C(C2=C(N(C(=NC2=N1)C3=CC=CC=C3)CC4=CC=CC=C4)N)C#N

InChI

InChI=1S/C24H23N5O/c1-2-3-14-30-24-19(15-25)20-21(26)29(16-17-10-6-4-7-11-17)23(27-22(20)28-24)18-12-8-5-9-13-18/h4-13H,2-3,14,16,26H2,1H3