5-chloranyl-N2-[2-methoxy-4-(1-methylpiperidin-3-yl)phenyl]-N4-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4,6-triamine

Systemtic Name: 5-chloranyl-N2-[2-methoxy-4-(1-methylpiperidin-3-yl)phenyl]-N4-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4,6-triamine Openeye Name: 5-chloro-N4-(2-isopropylsulfonylphenyl)-N2-[2-methoxy-4-(1-methyl-3-piperidyl)phenyl]pyrimidine-2,4,6-triamine CAS Name: 5-chloro-N2-[2-methoxy-4-(1-methyl-3-piperidinyl)phenyl]-N4-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4,6-triamine IUPAC Name: 5-chloro-2-N-[2-methoxy-4-(1-methylpiperidin-3-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4,6-triamine Traditional Name: [4-amino-5-chloro-6-(2-isopropylsulfonylanilino)pyrimidin-2-yl]-[2-methoxy-4-(1-methyl-3-piperidyl)phenyl]amine Formula: C26H33ClN6O3S MolecularWeight: 545.09662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC(=C2Cl)N)NC3=C(C=C(C=C3)C4CCCN(C4)C)OC

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC(=C2Cl)N)NC3=C(C=C(C=C3)C4CCCN(C4)C)OC

InChI

InChI=1S/C26H33ClN6O3S/c1-16(2)37(34,35)22-10-6-5-9-20(22)29-25-23(27)24(28)31-26(32-25)30-19-12-11-17(14-21(19)36-4)18-8-7-13-33(3)15-18/h5-6,9-12,14,16,18H,7-8,13,15H2,1-4H3,(H4,28,29,30,31,32)