5-[[3-propyl-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[3-propyl-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[3-propyl-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[3-propyl-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[3-propyl-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3-propyl-4-(3,4,5-trimethoxybenzyl)oxy-benzyl]pyrimidin-4-yl]amine Formula: C24H30N4O4 MolecularWeight: 438.5194

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)CC2=CN=C(N=C2N)N)OCC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCCC1=C(C=CC(=C1)CC2=CN=C(N=C2N)N)OCC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C24H30N4O4/c1-5-6-17-9-15(10-18-13-27-24(26)28-23(18)25)7-8-19(17)32-14-16-11-20(29-2)22(31-4)21(12-16)30-3/h7-9,11-13H,5-6,10,14H2,1-4H3,(H4,25,26,27,28)