6-methyl-5-[4-[4-[(E)-3-phenoxypropoxyiminomethyl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine

Systemtic Name: 6-methyl-5-[4-[4-[(E)-3-phenoxypropoxyiminomethyl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine Openeye Name: 6-methyl-5-[4-[4-[(E)-3-phenoxypropoxyiminomethyl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine CAS Name: 6-methyl-5-[4-[4-[(E)-3-phenoxypropoxyiminomethyl]phenyl]-1-piperazinyl]pyrimidine-2,4-diamine IUPAC Name: 6-methyl-5-[4-[4-[(E)-3-phenoxypropoxyiminomethyl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine Traditional Name: [2-amino-6-methyl-5-[4-[4-[(E)-3-phenoxypropyloximinomethyl]phenyl]piperazino]pyrimidin-4-yl]amine Formula: C25H31N7O2 MolecularWeight: 461.55934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N)N)N2CCN(CC2)C3=CC=C(C=C3)C=NOCCCOC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)N)N)N2CCN(CC2)C3=CC=C(C=C3)/C=N/OCCCOC4=CC=CC=C4

InChI

InChI=1S/C25H31N7O2/c1-19-23(24(26)30-25(27)29-19)32-14-12-31(13-15-32)21-10-8-20(9-11-21)18-28-34-17-5-16-33-22-6-3-2-4-7-22/h2-4,6-11,18H,5,12-17H2,1H3,(H4,26,27,29,30)/b28-18+