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

Systemtic Name: 6-methyl-5-[4-[4-[(E)-3-phenylpropoxyiminomethyl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine Openeye Name: 6-methyl-5-[4-[4-[(E)-3-phenylpropoxyiminomethyl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine CAS Name: 6-methyl-5-[4-[4-[(E)-3-phenylpropoxyiminomethyl]phenyl]-1-piperazinyl]pyrimidine-2,4-diamine IUPAC Name: 6-methyl-5-[4-[4-[(E)-3-phenylpropoxyiminomethyl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine Traditional Name: [2-amino-6-methyl-5-[4-[4-[(E)-3-phenylpropyloximinomethyl]phenyl]piperazino]pyrimidin-4-yl]amine Formula: C25H31N7O MolecularWeight: 445.55994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N)N)N2CCN(CC2)C3=CC=C(C=C3)C=NOCCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)N)N)N2CCN(CC2)C3=CC=C(C=C3)/C=N/OCCCC4=CC=CC=C4

InChI

InChI=1S/C25H31N7O/c1-19-23(24(26)30-25(27)29-19)32-15-13-31(14-16-32)22-11-9-21(10-12-22)18-28-33-17-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-12,18H,5,8,13-17H2,1H3,(H4,26,27,29,30)/b28-18+