2-[[3-chloranyl-4-(4-propan-2-ylpiperazin-1-yl)phenyl]amino]-N-(2,6-dimethylphenyl)-4-(2-ethoxyphenoxy)pyrimidine-5-carboxamide

Systemtic Name: 2-[[3-chloranyl-4-(4-propan-2-ylpiperazin-1-yl)phenyl]amino]-N-(2,6-dimethylphenyl)-4-(2-ethoxyphenoxy)pyrimidine-5-carboxamide Openeye Name: 2-[3-chloro-4-(4-isopropylpiperazin-1-yl)anilino]-N-(2,6-dimethylphenyl)-4-(2-ethoxyphenoxy)pyrimidine-5-carboxamide CAS Name: 2-[3-chloro-4-(4-propan-2-yl-1-piperazinyl)anilino]-N-(2,6-dimethylphenyl)-4-(2-ethoxyphenoxy)-5-pyrimidinecarboxamide IUPAC Name: 2-[3-chloro-4-(4-propan-2-ylpiperazin-1-yl)anilino]-N-(2,6-dimethylphenyl)-4-(2-ethoxyphenoxy)pyrimidine-5-carboxamide Traditional Name: 2-[3-chloro-4-(4-isopropylpiperazino)anilino]-N-(2,6-dimethylphenyl)-4-(2-ethoxyphenoxy)pyrimidine-5-carboxamide Formula: C34H39ClN6O3 MolecularWeight: 615.16486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OC2=NC(=NC=C2C(=O)NC3=C(C=CC=C3C)C)NC4=CC(=C(C=C4)N5CCN(CC5)C(C)C)Cl

Isomeric SMILES

CCOC1=CC=CC=C1OC2=NC(=NC=C2C(=O)NC3=C(C=CC=C3C)C)NC4=CC(=C(C=C4)N5CCN(CC5)C(C)C)Cl

InChI

InChI=1S/C34H39ClN6O3/c1-6-43-29-12-7-8-13-30(29)44-33-26(32(42)38-31-23(4)10-9-11-24(31)5)21-36-34(39-33)37-25-14-15-28(27(35)20-25)41-18-16-40(17-19-41)22(2)3/h7-15,20-22H,6,16-19H2,1-5H3,(H,38,42)(H,36,37,39)