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

Systemtic Name: N-(2-methyl-5-propan-2-yl-phenyl)-2-[4-(1,2,3-triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: N-(5-isopropyl-2-methyl-phenyl)-2-[4-(triazol-1-yl)-1-piperidyl]pyrimidin-4-amine CAS Name: N-(2-methyl-5-propan-2-ylphenyl)-2-[4-(1-triazolyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: N-(2-methyl-5-propan-2-ylphenyl)-2-[4-(triazol-1-yl)piperidin-1-yl]pyrimidin-4-amine Traditional Name: (5-isopropyl-2-methyl-phenyl)-[2-[4-(triazol-1-yl)piperidino]pyrimidin-4-yl]amine Formula: C21H27N7 MolecularWeight: 377.48598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N7/c1-15(2)17-5-4-16(3)19(14-17)24-20-6-9-22-21(25-20)27-11-7-18(8-12-27)28-13-10-23-26-28/h4-6,9-10,13-15,18H,7-8,11-12H2,1-3H3,(H,22,24,25)