6-(4-methoxyphenyl)-2-morpholin-4-yl-8-(thiophen-2-ylmethyl)pteridin-7-one

Systemtic Name: 6-(4-methoxyphenyl)-2-morpholin-4-yl-8-(thiophen-2-ylmethyl)pteridin-7-one Openeye Name: 6-(4-methoxyphenyl)-2-morpholino-8-(2-thienylmethyl)pteridin-7-one CAS Name: 6-(4-methoxyphenyl)-2-(4-morpholinyl)-8-(thiophen-2-ylmethyl)-7-pteridinone IUPAC Name: 6-(4-methoxyphenyl)-2-morpholin-4-yl-8-(thiophen-2-ylmethyl)pteridin-7-one Traditional Name: 6-(4-methoxyphenyl)-2-morpholino-8-(2-thenyl)pteridin-7-one Formula: C22H21N5O3S MolecularWeight: 435.49884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CN=C(N=C3N(C2=O)CC4=CC=CS4)N5CCOCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CN=C(N=C3N(C2=O)CC4=CC=CS4)N5CCOCC5

InChI

InChI=1S/C22H21N5O3S/c1-29-16-6-4-15(5-7-16)19-21(28)27(14-17-3-2-12-31-17)20-18(24-19)13-23-22(25-20)26-8-10-30-11-9-26/h2-7,12-13H,8-11,14H2,1H3