2-[3-(hydroxymethyl)phenyl]-N,N-dimethyl-8-methylsulfanyl-4-morpholin-4-yl-pyrido[3,2-d]pyrimidine-6-carboxamide

Systemtic Name: 2-[3-(hydroxymethyl)phenyl]-N,N-dimethyl-8-methylsulfanyl-4-morpholin-4-yl-pyrido[3,2-d]pyrimidine-6-carboxamide Openeye Name: 2-[3-(hydroxymethyl)phenyl]-N,N-dimethyl-8-methylsulfanyl-4-morpholino-pyrido[3,2-d]pyrimidine-6-carboxamide CAS Name: 2-[3-(hydroxymethyl)phenyl]-N,N-dimethyl-8-(methylthio)-4-(4-morpholinyl)-6-pyrido[3,2-d]pyrimidinecarboxamide IUPAC Name: 2-[3-(hydroxymethyl)phenyl]-N,N-dimethyl-8-methylsulfanyl-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxamide Traditional Name: N,N-dimethyl-2-(3-methylolphenyl)-8-(methylthio)-4-morpholino-pyrido[3,2-d]pyrimidine-6-carboxamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=NC2=C(C(=C1)SC)N=C(N=C2N3CCOCC3)C4=CC(=CC=C4)CO

Isomeric SMILES

CN(C)C(=O)C1=NC2=C(C(=C1)SC)N=C(N=C2N3CCOCC3)C4=CC(=CC=C4)CO

InChI

InChI=1S/C22H25N5O3S/c1-26(2)22(29)16-12-17(31-3)18-19(23-16)21(27-7-9-30-10-8-27)25-20(24-18)15-6-4-5-14(11-15)13-28/h4-6,11-12,28H,7-10,13H2,1-3H3