6-(2-bromanyl-5-ethylsulfanyl-4-methoxy-phenyl)-2-(cyclopropylamino)-8-hexyl-pyrido[2,3-d]pyrimidin-7-one

Systemtic Name: 6-(2-bromanyl-5-ethylsulfanyl-4-methoxy-phenyl)-2-(cyclopropylamino)-8-hexyl-pyrido[2,3-d]pyrimidin-7-one Openeye Name: 6-(2-bromo-5-ethylsulfanyl-4-methoxy-phenyl)-2-(cyclopropylamino)-8-hexyl-pyrido[2,3-d]pyrimidin-7-one CAS Name: 6-[2-bromo-5-(ethylthio)-4-methoxyphenyl]-2-(cyclopropylamino)-8-hexyl-7-pyrido[2,3-d]pyrimidinone IUPAC Name: 6-(2-bromo-5-ethylsulfanyl-4-methoxyphenyl)-2-(cyclopropylamino)-8-hexylpyrido[2,3-d]pyrimidin-7-one Traditional Name: 6-[2-bromo-5-(ethylthio)-4-methoxy-phenyl]-2-(cyclopropylamino)-8-hexyl-pyrido[2,3-d]pyrimidin-7-one Formula: C25H31BrN4O2S MolecularWeight: 531.50824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=NC(=NC=C2C=C(C1=O)C3=CC(=C(C=C3Br)OC)SCC)NC4CC4

Isomeric SMILES

CCCCCCN1C2=NC(=NC=C2C=C(C1=O)C3=CC(=C(C=C3Br)OC)SCC)NC4CC4

InChI

InChI=1S/C25H31BrN4O2S/c1-4-6-7-8-11-30-23-16(15-27-25(29-23)28-17-9-10-17)12-19(24(30)31)18-13-22(33-5-2)21(32-3)14-20(18)26/h12-15,17H,4-11H2,1-3H3,(H,27,28,29)