4-[(4-thieno[3,2-d]pyrimidin-4-yl-1,4-diazepan-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(4-thieno[3,2-d]pyrimidin-4-yl-1,4-diazepan-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(4-thieno[3,2-d]pyrimidin-4-yl-1,4-diazepan-1-yl)methyl]benzonitrile CAS Name: 4-[[4-(4-thieno[3,2-d]pyrimidinyl)-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[(4-thieno[3,2-d]pyrimidin-4-yl-1,4-diazepan-1-yl)methyl]benzonitrile Traditional Name: 4-[(4-thieno[3,2-d]pyrimidin-4-yl-1,4-diazepan-1-yl)methyl]benzonitrile Formula: C19H19N5S MolecularWeight: 349.45266

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC=NC3=C2SC=C3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN(C1)C2=NC=NC3=C2SC=C3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C19H19N5S/c20-12-15-2-4-16(5-3-15)13-23-7-1-8-24(10-9-23)19-18-17(6-11-25-18)21-14-22-19/h2-6,11,14H,1,7-10,13H2