4-[2-(2-ethylhexylamino)-4-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]-N-octyl-benzamide

Systemtic Name: 4-[2-(2-ethylhexylamino)-4-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]-N-octyl-benzamide Openeye Name: 4-[2-(2-ethylhexylamino)-4-methyl-7-oxo-pyrido[2,3-d]pyrimidin-8-yl]-N-octyl-benzamide CAS Name: 4-[2-(2-ethylhexylamino)-4-methyl-7-oxo-8-pyrido[2,3-d]pyrimidinyl]-N-octylbenzamide IUPAC Name: 4-[2-(2-ethylhexylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-octylbenzamide Traditional Name: 4-[2-(2-ethylhexylamino)-7-keto-4-methyl-pyrido[2,3-d]pyrimidin-8-yl]-N-octyl-benzamide Formula: C31H45N5O2 MolecularWeight: 519.7213

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C1=CC=C(C=C1)N2C(=O)C=CC3=C(N=C(N=C32)NCC(CC)CCCC)C

Isomeric SMILES

CCCCCCCCNC(=O)C1=CC=C(C=C1)N2C(=O)C=CC3=C(N=C(N=C32)NCC(CC)CCCC)C

InChI

InChI=1S/C31H45N5O2/c1-5-8-10-11-12-13-21-32-30(38)25-15-17-26(18-16-25)36-28(37)20-19-27-23(4)34-31(35-29(27)36)33-22-24(7-3)14-9-6-2/h15-20,24H,5-14,21-22H2,1-4H3,(H,32,38)(H,33,34,35)