4-azanyl-2-(4-bromophenyl)-3-[(4-bromophenyl)methyl]-6-ethoxy-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-(4-bromophenyl)-3-[(4-bromophenyl)methyl]-6-ethoxy-pyrrolo[2,3-d]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-(4-bromophenyl)-3-[(4-bromophenyl)methyl]-6-ethoxy-pyrrolo[2,3-d]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-(4-bromophenyl)-3-[(4-bromophenyl)methyl]-6-ethoxy-5-pyrrolo[2,3-d]pyrimidinecarbonitrile IUPAC Name: 4-amino-2-(4-bromophenyl)-3-[(4-bromophenyl)methyl]-6-ethoxypyrrolo[2,3-d]pyrimidine-5-carbonitrile Traditional Name: 4-amino-3-(4-bromobenzyl)-2-(4-bromophenyl)-6-ethoxy-pyrrolo[2,3-d]pyrimidine-5-carbonitrile Formula: C22H17Br2N5O MolecularWeight: 527.21128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=C(N(C(=NC2=N1)C3=CC=C(C=C3)Br)CC4=CC=C(C=C4)Br)N)C#N

Isomeric SMILES

CCOC1=C(C2=C(N(C(=NC2=N1)C3=CC=C(C=C3)Br)CC4=CC=C(C=C4)Br)N)C#N

InChI

InChI=1S/C22H17Br2N5O/c1-2-30-22-17(11-25)18-19(26)29(12-13-3-7-15(23)8-4-13)21(27-20(18)28-22)14-5-9-16(24)10-6-14/h3-10H,2,12,26H2,1H3