2-[(7-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[(7-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[(7-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[(7-methyl-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[(7-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[(7-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)thio]-1-piperidino-ethanone Formula: C25H25N3O2S MolecularWeight: 431.5499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C2)C(=NC(=N3)C4=CC=CC=C4)SCC(=O)N5CCCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C2)C(=NC(=N3)C4=CC=CC=C4)SCC(=O)N5CCCCC5

InChI

InChI=1S/C25H25N3O2S/c1-17-10-11-21-19(14-17)15-20-24(30-21)26-23(18-8-4-2-5-9-18)27-25(20)31-16-22(29)28-12-6-3-7-13-28/h2,4-5,8-11,14H,3,6-7,12-13,15-16H2,1H3