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

Systemtic Name: 5-[4-[(cycloheptylamino)methyl]phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine Openeye Name: 6-(benzyloxymethyl)-5-[4-[(cycloheptylamino)methyl]phenyl]pyrimidine-2,4-diamine CAS Name: 5-[4-[(cycloheptylamino)methyl]phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine IUPAC Name: 5-[4-[(cycloheptylamino)methyl]phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine Traditional Name: cycloheptyl-[4-[2,4-diamino-6-(benzoxymethyl)pyrimidin-5-yl]benzyl]amine Formula: C26H33N5O MolecularWeight: 431.57312

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NCC2=CC=C(C=C2)C3=C(N=C(N=C3N)N)COCC4=CC=CC=C4

Isomeric SMILES

C1CCCC(CC1)NCC2=CC=C(C=C2)C3=C(N=C(N=C3N)N)COCC4=CC=CC=C4

InChI

InChI=1S/C26H33N5O/c27-25-24(23(30-26(28)31-25)18-32-17-20-8-4-3-5-9-20)21-14-12-19(13-15-21)16-29-22-10-6-1-2-7-11-22/h3-5,8-9,12-15,22,29H,1-2,6-7,10-11,16-18H2,(H4,27,28,30,31)