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

Systemtic Name: 6-(phenylmethoxymethyl)-5-[4-(thiophen-3-ylmethylamino)phenyl]pyrimidine-2,4-diamine Openeye Name: 6-(benzyloxymethyl)-5-[4-(3-thienylmethylamino)phenyl]pyrimidine-2,4-diamine CAS Name: 6-(phenylmethoxymethyl)-5-[4-(3-thiophenylmethylamino)phenyl]pyrimidine-2,4-diamine IUPAC Name: 6-(phenylmethoxymethyl)-5-[4-(thiophen-3-ylmethylamino)phenyl]pyrimidine-2,4-diamine Traditional Name: [4-[2,4-diamino-6-(benzoxymethyl)pyrimidin-5-yl]phenyl]-(3-thenyl)amine Formula: C23H23N5OS MolecularWeight: 417.52662

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5OS/c24-22-21(18-6-8-19(9-7-18)26-12-17-10-11-30-15-17)20(27-23(25)28-22)14-29-13-16-4-2-1-3-5-16/h1-11,15,26H,12-14H2,(H4,24,25,27,28)