5-chloranyl-N4-(2-cyclohexylsulfonylphenyl)-N2-[2-ethoxy-4-(1-methylpyrrolidin-3-yl)oxy-phenyl]pyrimidine-2,4-diamine

Systemtic Name: 5-chloranyl-N4-(2-cyclohexylsulfonylphenyl)-N2-[2-ethoxy-4-(1-methylpyrrolidin-3-yl)oxy-phenyl]pyrimidine-2,4-diamine Openeye Name: 5-chloro-N4-(2-cyclohexylsulfonylphenyl)-N2-[2-ethoxy-4-(1-methylpyrrolidin-3-yl)oxy-phenyl]pyrimidine-2,4-diamine CAS Name: 5-chloro-N4-(2-cyclohexylsulfonylphenyl)-N2-[2-ethoxy-4-[(1-methyl-3-pyrrolidinyl)oxy]phenyl]pyrimidine-2,4-diamine IUPAC Name: 5-chloro-4-N-(2-cyclohexylsulfonylphenyl)-2-N-[2-ethoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]pyrimidine-2,4-diamine Traditional Name: [5-chloro-4-(2-cyclohexylsulfonylanilino)pyrimidin-2-yl]-[2-ethoxy-4-(1-methylpyrrolidin-3-yl)oxy-phenyl]amine Formula: C29H36ClN5O4S MolecularWeight: 586.14524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)OC2CCN(C2)C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C5CCCCC5)Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)OC2CCN(C2)C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C5CCCCC5)Cl

InChI

InChI=1S/C29H36ClN5O4S/c1-3-38-26-17-20(39-21-15-16-35(2)19-21)13-14-24(26)33-29-31-18-23(30)28(34-29)32-25-11-7-8-12-27(25)40(36,37)22-9-5-4-6-10-22/h7-8,11-14,17-18,21-22H,3-6,9-10,15-16,19H2,1-2H3,(H2,31,32,33,34)