N2-[3-[(3-morpholin-4-ylpropylamino)methyl]phenyl]-N4-(4-phenoxyphenyl)pyrimidine-2,4-diamine

Systemtic Name: N2-[3-[(3-morpholin-4-ylpropylamino)methyl]phenyl]-N4-(4-phenoxyphenyl)pyrimidine-2,4-diamine Openeye Name: N2-[3-[(3-morpholinopropylamino)methyl]phenyl]-N4-(4-phenoxyphenyl)pyrimidine-2,4-diamine CAS Name: N2-[3-[[3-(4-morpholinyl)propylamino]methyl]phenyl]-N4-(4-phenoxyphenyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-[3-[(3-morpholin-4-ylpropylamino)methyl]phenyl]-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine Traditional Name: 3-morpholinopropyl-[3-[[4-(4-phenoxyanilino)pyrimidin-2-yl]amino]benzyl]amine Formula: C30H34N6O2 MolecularWeight: 510.62996

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNCC2=CC(=CC=C2)NC3=NC=CC(=N3)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1COCCN1CCCNCC2=CC(=CC=C2)NC3=NC=CC(=N3)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C30H34N6O2/c1-2-8-27(9-3-1)38-28-12-10-25(11-13-28)33-29-14-16-32-30(35-29)34-26-7-4-6-24(22-26)23-31-15-5-17-36-18-20-37-21-19-36/h1-4,6-14,16,22,31H,5,15,17-21,23H2,(H2,32,33,34,35)