N-(3,4-diethoxyphenyl)-2-(morpholin-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-(3,4-diethoxyphenyl)-2-(morpholin-4-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(3,4-diethoxyphenyl)-2-(morpholinomethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(3,4-diethoxyphenyl)-2-(4-morpholinylmethyl)-5-phenyl-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(3,4-diethoxyphenyl)-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine Traditional Name: (3,4-diethoxyphenyl)-[2-(morpholinomethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-yl]amine Formula: C27H30N4O3S MolecularWeight: 490.6171

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC2=C3C(=CSC3=NC(=N2)CN4CCOCC4)C5=CC=CC=C5)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC2=C3C(=CSC3=NC(=N2)CN4CCOCC4)C5=CC=CC=C5)OCC

InChI

InChI=1S/C27H30N4O3S/c1-3-33-22-11-10-20(16-23(22)34-4-2)28-26-25-21(19-8-6-5-7-9-19)18-35-27(25)30-24(29-26)17-31-12-14-32-15-13-31/h5-11,16,18H,3-4,12-15,17H2,1-2H3,(H,28,29,30)