2-[[4-[(piperidin-4-ylmethylamino)methyl]pyridin-2-yl]amino]-1,3-thiazole-5-carbonitrile

Systemtic Name: 2-[[4-[(piperidin-4-ylmethylamino)methyl]pyridin-2-yl]amino]-1,3-thiazole-5-carbonitrile Openeye Name: 2-[[4-[(4-piperidylmethylamino)methyl]-2-pyridyl]amino]thiazole-5-carbonitrile CAS Name: 2-[[4-[(4-piperidinylmethylamino)methyl]-2-pyridinyl]amino]-5-thiazolecarbonitrile IUPAC Name: 2-[[4-[(piperidin-4-ylmethylamino)methyl]pyridin-2-yl]amino]-1,3-thiazole-5-carbonitrile Traditional Name: 2-[[4-[(4-piperidylmethylamino)methyl]-2-pyridyl]amino]thiazole-5-carbonitrile Formula: C16H20N6S MolecularWeight: 328.4352

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CNCC2=CC(=NC=C2)NC3=NC=C(S3)C#N

Isomeric SMILES

C1CNCCC1CNCC2=CC(=NC=C2)NC3=NC=C(S3)C#N

InChI

InChI=1S/C16H20N6S/c17-8-14-11-21-16(23-14)22-15-7-13(3-6-20-15)10-19-9-12-1-4-18-5-2-12/h3,6-7,11-12,18-19H,1-2,4-5,9-10H2,(H,20,21,22)