5-[[3-ethoxy-4-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-5-phenylmethoxy-phenyl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[3-ethoxy-4-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-5-phenylmethoxy-phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[3-benzyloxy-5-ethoxy-4-[5-(morpholinomethyl)-2-thienyl]phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[3-ethoxy-4-[5-(4-morpholinylmethyl)-2-thiophenyl]-5-phenylmethoxyphenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[3-ethoxy-4-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-5-phenylmethoxyphenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3-benzoxy-5-ethoxy-4-[5-(morpholinomethyl)-2-thienyl]benzyl]pyrimidin-4-yl]amine Formula: C29H33N5O3S MolecularWeight: 531.66902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1C2=CC=C(S2)CN3CCOCC3)OCC4=CC=CC=C4)CC5=CN=C(N=C5N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1C2=CC=C(S2)CN3CCOCC3)OCC4=CC=CC=C4)CC5=CN=C(N=C5N)N

InChI

InChI=1S/C29H33N5O3S/c1-2-36-24-15-21(14-22-17-32-29(31)33-28(22)30)16-25(37-19-20-6-4-3-5-7-20)27(24)26-9-8-23(38-26)18-34-10-12-35-13-11-34/h3-9,15-17H,2,10-14,18-19H2,1H3,(H4,30,31,32,33)