4-[4-[2,4-bis(azanyl)pyrimidin-5-yl]piperidin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-[2,4-bis(azanyl)pyrimidin-5-yl]piperidin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-(2,4-diaminopyrimidin-5-yl)-1-piperidyl]benzonitrile CAS Name: 4-[4-(2,4-diamino-5-pyrimidinyl)-1-piperidinyl]benzonitrile IUPAC Name: 4-[4-(2,4-diaminopyrimidin-5-yl)piperidin-1-yl]benzonitrile Traditional Name: 4-[4-(2,4-diaminopyrimidin-5-yl)piperidino]benzonitrile Formula: C16H18N6 MolecularWeight: 294.35432

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CN=C(N=C2N)N)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCC1C2=CN=C(N=C2N)N)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H18N6/c17-9-11-1-3-13(4-2-11)22-7-5-12(6-8-22)14-10-20-16(19)21-15(14)18/h1-4,10,12H,5-8H2,(H4,18,19,20,21)