2-[4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl]sulfinylethanol

Systemtic Name: 2-[4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl]sulfinylethanol Openeye Name: 2-[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]sulfinylethanol CAS Name: 2-[[4-(3-bromoanilino)-6-pyrido[3,4-d]pyrimidinyl]sulfinyl]ethanol IUPAC Name: 2-[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]sulfinylethanol Traditional Name: 2-[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]sulfinylethanol Formula: C15H13BrN4O2S MolecularWeight: 393.25832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2=NC=NC3=CN=C(C=C32)S(=O)CCO

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2=NC=NC3=CN=C(C=C32)S(=O)CCO

InChI

InChI=1S/C15H13BrN4O2S/c16-10-2-1-3-11(6-10)20-15-12-7-14(23(22)5-4-21)17-8-13(12)18-9-19-15/h1-3,6-9,21H,4-5H2,(H,18,19,20)