5-[[6-[4-azanyl-4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile

Systemtic Name: 5-[[6-[4-azanyl-4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile Openeye Name: 5-[[6-(4-amino-4-benzyl-1-piperidyl)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile CAS Name: 5-[[6-[4-amino-4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinyl]amino]-2-pyrazinecarbonitrile IUPAC Name: 5-[[6-(4-amino-4-benzylpiperidin-1-yl)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile Traditional Name: 5-[[6-(4-amino-4-benzyl-piperidino)pyrimidin-4-yl]amino]pyrazinonitrile Formula: C21H22N8 MolecularWeight: 386.45298

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC2=CC=CC=C2)N)C3=CC(=NC=N3)NC4=NC=C(N=C4)C#N

Isomeric SMILES

C1CN(CCC1(CC2=CC=CC=C2)N)C3=CC(=NC=N3)NC4=NC=C(N=C4)C#N

InChI

InChI=1S/C21H22N8/c22-12-17-13-25-19(14-24-17)28-18-10-20(27-15-26-18)29-8-6-21(23,7-9-29)11-16-4-2-1-3-5-16/h1-5,10,13-15H,6-9,11,23H2,(H,25,26,27,28)