4-azanyl-6-[(3-chloranyl-4-phenylmethoxy-phenyl)amino]-N-(4-methoxyphenyl)pyrimidine-5-carboxamide

Systemtic Name: 4-azanyl-6-[(3-chloranyl-4-phenylmethoxy-phenyl)amino]-N-(4-methoxyphenyl)pyrimidine-5-carboxamide Openeye Name: 4-amino-6-(4-benzyloxy-3-chloro-anilino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide CAS Name: 4-amino-6-(3-chloro-4-phenylmethoxyanilino)-N-(4-methoxyphenyl)-5-pyrimidinecarboxamide IUPAC Name: 4-amino-6-(3-chloro-4-phenylmethoxyanilino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide Traditional Name: 4-amino-6-(4-benzoxy-3-chloro-anilino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide Formula: C25H22ClN5O3 MolecularWeight: 475.92688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=C(N=CN=C2NC3=CC(=C(C=C3)OCC4=CC=CC=C4)Cl)N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=C(N=CN=C2NC3=CC(=C(C=C3)OCC4=CC=CC=C4)Cl)N

InChI

InChI=1S/C25H22ClN5O3/c1-33-19-10-7-17(8-11-19)31-25(32)22-23(27)28-15-29-24(22)30-18-9-12-21(20(26)13-18)34-14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3,(H,31,32)(H3,27,28,29,30)