methyl 5-[[4-[(4-chloranyl-3-methoxy-phenyl)amino]-5-methyl-pyrimidin-2-yl]amino]-2-piperazin-1-yl-benzoate

Systemtic Name: methyl 5-[[4-[(4-chloranyl-3-methoxy-phenyl)amino]-5-methyl-pyrimidin-2-yl]amino]-2-piperazin-1-yl-benzoate Openeye Name: methyl 5-[[4-(4-chloro-3-methoxy-anilino)-5-methyl-pyrimidin-2-yl]amino]-2-piperazin-1-yl-benzoate CAS Name: 5-[[4-(4-chloro-3-methoxyanilino)-5-methyl-2-pyrimidinyl]amino]-2-(1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 5-[[4-(4-chloro-3-methoxyanilino)-5-methylpyrimidin-2-yl]amino]-2-piperazin-1-ylbenzoate Traditional Name: 5-[[4-(4-chloro-3-methoxy-anilino)-5-methyl-pyrimidin-2-yl]amino]-2-piperazino-benzoic acid methyl ester Formula: C24H27ClN6O3 MolecularWeight: 482.96258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1NC2=CC(=C(C=C2)Cl)OC)NC3=CC(=C(C=C3)N4CCNCC4)C(=O)OC

Isomeric SMILES

CC1=CN=C(N=C1NC2=CC(=C(C=C2)Cl)OC)NC3=CC(=C(C=C3)N4CCNCC4)C(=O)OC

InChI

InChI=1S/C24H27ClN6O3/c1-15-14-27-24(30-22(15)28-17-4-6-19(25)21(13-17)33-2)29-16-5-7-20(18(12-16)23(32)34-3)31-10-8-26-9-11-31/h4-7,12-14,26H,8-11H2,1-3H3,(H2,27,28,29,30)