6-(4-methoxyphenyl)-2-[(3-methoxyphenyl)amino]-8-(thiophen-2-ylmethyl)pteridin-7-one

Systemtic Name: 6-(4-methoxyphenyl)-2-[(3-methoxyphenyl)amino]-8-(thiophen-2-ylmethyl)pteridin-7-one Openeye Name: 2-(3-methoxyanilino)-6-(4-methoxyphenyl)-8-(2-thienylmethyl)pteridin-7-one CAS Name: 2-(3-methoxyanilino)-6-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)-7-pteridinone IUPAC Name: 2-(3-methoxyanilino)-6-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)pteridin-7-one Traditional Name: 2-(m-anisidino)-6-(4-methoxyphenyl)-8-(2-thenyl)pteridin-7-one Formula: C25H21N5O3S MolecularWeight: 471.53094

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)NC5=CC(=CC=C5)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CN=C(N=C3N(C2=O)CC4=CC=CS4)NC5=CC(=CC=C5)OC

InChI

InChI=1S/C25H21N5O3S/c1-32-18-10-8-16(9-11-18)22-24(31)30(15-20-7-4-12-34-20)23-21(28-22)14-26-25(29-23)27-17-5-3-6-19(13-17)33-2/h3-14H,15H2,1-2H3,(H,26,27,29)