5-[4-[(5-chloranylthiophen-3-yl)methylamino]phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine

Systemtic Name: 5-[4-[(5-chloranylthiophen-3-yl)methylamino]phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine Openeye Name: 6-(benzyloxymethyl)-5-[4-[(5-chloro-3-thienyl)methylamino]phenyl]pyrimidine-2,4-diamine CAS Name: 5-[4-[(5-chloro-3-thiophenyl)methylamino]phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine IUPAC Name: 5-[4-[(5-chlorothiophen-3-yl)methylamino]phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine Traditional Name: (5-chloro-3-thienyl)methyl-[4-[2,4-diamino-6-(benzoxymethyl)pyrimidin-5-yl]phenyl]amine Formula: C23H22ClN5OS MolecularWeight: 451.97168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)NCC4=CSC(=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)COCC2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)NCC4=CSC(=C4)Cl

InChI

InChI=1S/C23H22ClN5OS/c24-20-10-16(14-31-20)11-27-18-8-6-17(7-9-18)21-19(28-23(26)29-22(21)25)13-30-12-15-4-2-1-3-5-15/h1-10,14,27H,11-13H2,(H4,25,26,28,29)