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

Systemtic Name: 2-[(3-methoxyphenyl)amino]-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one Openeye Name: 2-(3-methoxyanilino)-6-(2-thienyl)-8-(2-thienylmethyl)pteridin-7-one CAS Name: 2-(3-methoxyanilino)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)-7-pteridinone IUPAC Name: 2-(3-methoxyanilino)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one Traditional Name: 2-(m-anisidino)-8-(2-thenyl)-6-(2-thienyl)pteridin-7-one Formula: C22H17N5O2S2 MolecularWeight: 447.53268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=CS4)CC5=CC=CS5

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=CS4)CC5=CC=CS5

InChI

InChI=1S/C22H17N5O2S2/c1-29-15-6-2-5-14(11-15)24-22-23-12-17-20(26-22)27(13-16-7-3-9-30-16)21(28)19(25-17)18-8-4-10-31-18/h2-12H,13H2,1H3,(H,23,24,26)