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

Systemtic Name: 2-[(3-methoxyphenyl)amino]-6-phenyl-8-(thiophen-2-ylmethyl)pteridin-7-one Openeye Name: 2-(3-methoxyanilino)-6-phenyl-8-(2-thienylmethyl)pteridin-7-one CAS Name: 2-(3-methoxyanilino)-6-phenyl-8-(thiophen-2-ylmethyl)-7-pteridinone IUPAC Name: 2-(3-methoxyanilino)-6-phenyl-8-(thiophen-2-ylmethyl)pteridin-7-one Traditional Name: 2-(m-anisidino)-6-phenyl-8-(2-thenyl)pteridin-7-one Formula: C24H19N5O2S MolecularWeight: 441.50496

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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=CC=C4)CC5=CC=CS5

Isomeric SMILES

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

InChI

InChI=1S/C24H19N5O2S/c1-31-18-10-5-9-17(13-18)26-24-25-14-20-22(28-24)29(15-19-11-6-12-32-19)23(30)21(27-20)16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,25,26,28)