ethyl 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-[(3-chloro-4-methoxy-phenyl)methylamino]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidine-5-carboxylate CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[2-(hydroxymethyl)-1-pyrrolidinyl]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidine-5-carboxylate Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-2-(2-methylolpyrrolidino)pyrimidine-5-carboxylic acid ethyl ester Formula: C20H25ClN4O4 MolecularWeight: 420.8899

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NCC2=CC(=C(C=C2)OC)Cl)N3CCCC3CO

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NCC2=CC(=C(C=C2)OC)Cl)N3CCCC3CO

InChI

InChI=1S/C20H25ClN4O4/c1-3-29-19(27)15-11-23-20(25-8-4-5-14(25)12-26)24-18(15)22-10-13-6-7-17(28-2)16(21)9-13/h6-7,9,11,14,26H,3-5,8,10,12H2,1-2H3,(H,22,23,24)