4-[[2,4-bis(azepan-1-yl)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[2,4-bis(azepan-1-yl)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[2,4-bis(azepan-1-yl)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]benzonitrile CAS Name: 4-[[2,4-bis(1-azepanyl)-5-pyrrolo[3,2-d]pyrimidinyl]methyl]benzonitrile IUPAC Name: 4-[[2,4-bis(azepan-1-yl)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]benzonitrile Traditional Name: 4-[[2,4-bis(azepan-1-yl)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]benzonitrile Formula: C26H32N6 MolecularWeight: 428.57248

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC3=C2N(C=C3)CC4=CC=C(C=C4)C#N)N5CCCCCC5

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC3=C2N(C=C3)CC4=CC=C(C=C4)C#N)N5CCCCCC5

InChI

InChI=1S/C26H32N6/c27-19-21-9-11-22(12-10-21)20-32-18-13-23-24(32)25(30-14-5-1-2-6-15-30)29-26(28-23)31-16-7-3-4-8-17-31/h9-13,18H,1-8,14-17,20H2