5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-(cyclohexylmethoxymethyl)pyrimidine-2,4-diamine

Systemtic Name: 5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-(cyclohexylmethoxymethyl)pyrimidine-2,4-diamine Openeye Name: 5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-(cyclohexylmethoxymethyl)pyrimidine-2,4-diamine CAS Name: 5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-(cyclohexylmethoxymethyl)pyrimidine-2,4-diamine IUPAC Name: 5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-(cyclohexylmethoxymethyl)pyrimidine-2,4-diamine Traditional Name: (4-chlorobenzyl)-[4-[2,4-diamino-6-(cyclohexylmethoxymethyl)pyrimidin-5-yl]phenyl]amine Formula: C25H30ClN5O MolecularWeight: 451.9916

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COCC2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC(CC1)COCC2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H30ClN5O/c26-20-10-6-17(7-11-20)14-29-21-12-8-19(9-13-21)23-22(30-25(28)31-24(23)27)16-32-15-18-4-2-1-3-5-18/h6-13,18,29H,1-5,14-16H2,(H4,27,28,30,31)