5-chloranyl-N2-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxy-phenyl]-N4-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4,6-triamine

Systemtic Name: 5-chloranyl-N2-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxy-phenyl]-N4-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4,6-triamine Openeye Name: 5-chloro-N2-[2-isopropoxy-5-methyl-4-(1-methyl-4-piperidyl)phenyl]-N4-(2-isopropylsulfonylphenyl)pyrimidine-2,4,6-triamine CAS Name: 5-chloro-N2-[5-methyl-4-(1-methyl-4-piperidinyl)-2-propan-2-yloxyphenyl]-N4-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4,6-triamine IUPAC Name: 5-chloro-2-N-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4,6-triamine Traditional Name: [6-amino-5-chloro-2-[2-isopropoxy-5-methyl-4-(1-methyl-4-piperidyl)anilino]pyrimidin-4-yl]-(2-isopropylsulfonylphenyl)amine Formula: C29H39ClN6O3S MolecularWeight: 587.17636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2CCN(CC2)C)OC(C)C)NC3=NC(=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)N

Isomeric SMILES

CC1=CC(=C(C=C1C2CCN(CC2)C)OC(C)C)NC3=NC(=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)N

InChI

InChI=1S/C29H39ClN6O3S/c1-17(2)39-24-16-21(20-11-13-36(6)14-12-20)19(5)15-23(24)33-29-34-27(31)26(30)28(35-29)32-22-9-7-8-10-25(22)40(37,38)18(3)4/h7-10,15-18,20H,11-14H2,1-6H3,(H4,31,32,33,34,35)