N-(5-tert-butyl-2-methyl-phenyl)-2-[4-(1,2,3-triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine

Systemtic Name: N-(5-tert-butyl-2-methyl-phenyl)-2-[4-(1,2,3-triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: N-(5-tert-butyl-2-methyl-phenyl)-2-[4-(triazol-1-yl)-1-piperidyl]pyrimidin-4-amine CAS Name: N-(5-tert-butyl-2-methylphenyl)-2-[4-(1-triazolyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: N-(5-tert-butyl-2-methylphenyl)-2-[4-(triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine Traditional Name: (5-tert-butyl-2-methyl-phenyl)-[2-[4-(triazol-1-yl)piperidino]pyrimidin-4-yl]amine Formula: C22H29N7 MolecularWeight: 391.51256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)NC2=NC(=NC=C2)N3CCC(CC3)N4C=CN=N4

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)NC2=NC(=NC=C2)N3CCC(CC3)N4C=CN=N4

InChI

InChI=1S/C22H29N7/c1-16-5-6-17(22(2,3)4)15-19(16)25-20-7-10-23-21(26-20)28-12-8-18(9-13-28)29-14-11-24-27-29/h5-7,10-11,14-15,18H,8-9,12-13H2,1-4H3,(H,23,25,26)