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

Systemtic Name: 5-phenethyl-4-(4-phenethylpiperazin-1-yl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile Openeye Name: 5-phenethyl-4-(4-phenethylpiperazin-1-yl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile CAS Name: 5-phenethyl-4-(4-phenethyl-1-piperazinyl)-7-pyrrolo[3,2-d]pyrimidinecarbonitrile IUPAC Name: 5-phenethyl-4-(4-phenethylpiperazin-1-yl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile Traditional Name: 5-phenethyl-4-(4-phenethylpiperazino)pyrrolo[3,2-d]pyrimidine-7-carbonitrile Formula: C27H28N6 MolecularWeight: 436.55142

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=CC=C2)C3=NC=NC4=C3N(C=C4C#N)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCC2=CC=CC=C2)C3=NC=NC4=C3N(C=C4C#N)CCC5=CC=CC=C5

InChI

InChI=1S/C27H28N6/c28-19-24-20-33(14-12-23-9-5-2-6-10-23)26-25(24)29-21-30-27(26)32-17-15-31(16-18-32)13-11-22-7-3-1-4-8-22/h1-10,20-21H,11-18H2