5-methyl-N2-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxy-phenyl)-N4-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

Systemtic Name: 5-methyl-N2-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxy-phenyl)-N4-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Openeye Name: N2-[2-isopropoxy-5-methyl-4-(4-piperidyl)phenyl]-N4-(2-isopropylsulfonylphenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine CAS Name: 5-methyl-N2-[5-methyl-4-(4-piperidinyl)-2-propan-2-yloxyphenyl]-N4-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine IUPAC Name: 5-methyl-2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Traditional Name: [2-[2-isopropoxy-5-methyl-4-(4-piperidyl)anilino]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-(2-isopropylsulfonylphenyl)amine Formula: C31H40N6O3S MolecularWeight: 576.7527

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2CCNCC2)OC(C)C)NC3=NC4=C(C(=CN4)C)C(=N3)NC5=CC=CC=C5S(=O)(=O)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2CCNCC2)OC(C)C)NC3=NC4=C(C(=CN4)C)C(=N3)NC5=CC=CC=C5S(=O)(=O)C(C)C

InChI

InChI=1S/C31H40N6O3S/c1-18(2)40-26-16-23(22-11-13-32-14-12-22)20(5)15-25(26)35-31-36-29-28(21(6)17-33-29)30(37-31)34-24-9-7-8-10-27(24)41(38,39)19(3)4/h7-10,15-19,22,32H,11-14H2,1-6H3,(H3,33,34,35,36,37)