6-(phenylmethoxymethyl)-5-[4-(propylamino)phenyl]pyrimidine-2,4-diamine

Systemtic Name: 6-(phenylmethoxymethyl)-5-[4-(propylamino)phenyl]pyrimidine-2,4-diamine Openeye Name: 6-(benzyloxymethyl)-5-[4-(propylamino)phenyl]pyrimidine-2,4-diamine CAS Name: 6-(phenylmethoxymethyl)-5-[4-(propylamino)phenyl]pyrimidine-2,4-diamine IUPAC Name: 6-(phenylmethoxymethyl)-5-[4-(propylamino)phenyl]pyrimidine-2,4-diamine Traditional Name: [4-[2,4-diamino-6-(benzoxymethyl)pyrimidin-5-yl]phenyl]-propyl-amine Formula: C21H25N5O MolecularWeight: 363.4561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=CC=C(C=C1)C2=C(N=C(N=C2N)N)COCC3=CC=CC=C3

Isomeric SMILES

CCCNC1=CC=C(C=C1)C2=C(N=C(N=C2N)N)COCC3=CC=CC=C3

InChI

InChI=1S/C21H25N5O/c1-2-12-24-17-10-8-16(9-11-17)19-18(25-21(23)26-20(19)22)14-27-13-15-6-4-3-5-7-15/h3-11,24H,2,12-14H2,1H3,(H4,22,23,25,26)