6-(phenylmethoxymethyl)-5-[4-(quinolin-3-ylmethylamino)phenyl]pyrimidine-2,4-diamine

Systemtic Name: 6-(phenylmethoxymethyl)-5-[4-(quinolin-3-ylmethylamino)phenyl]pyrimidine-2,4-diamine Openeye Name: 6-(benzyloxymethyl)-5-[4-(3-quinolylmethylamino)phenyl]pyrimidine-2,4-diamine CAS Name: 6-(phenylmethoxymethyl)-5-[4-(3-quinolinylmethylamino)phenyl]pyrimidine-2,4-diamine IUPAC Name: 6-(phenylmethoxymethyl)-5-[4-(quinolin-3-ylmethylamino)phenyl]pyrimidine-2,4-diamine Traditional Name: [4-[2,4-diamino-6-(benzoxymethyl)pyrimidin-5-yl]phenyl]-(3-quinolylmethyl)amine Formula: C28H26N6O MolecularWeight: 462.54564

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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=CC5=CC=CC=C5N=C4

Isomeric SMILES

C1=CC=C(C=C1)COCC2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)NCC4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C28H26N6O/c29-27-26(25(33-28(30)34-27)18-35-17-19-6-2-1-3-7-19)21-10-12-23(13-11-21)31-15-20-14-22-8-4-5-9-24(22)32-16-20/h1-14,16,31H,15,17-18H2,(H4,29,30,33,34)