6-[6-methyl-4-(octadecylamino)-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[6-methyl-4-(octadecylamino)-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[6-methyl-4-(octadecylamino)-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[6-methyl-4-(octadecylamino)-1H-pyrimidin-2-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[6-methyl-4-(octadecylamino)-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[6-methyl-4-(stearylamino)-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one Formula: C29H47N3O MolecularWeight: 453.70298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC1=NC(=C2C=CC=CC2=O)NC(=C1)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC1=NC(=C2C=CC=CC2=O)NC(=C1)C

InChI

InChI=1S/C29H47N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-30-28-24-25(2)31-29(32-28)26-21-18-19-22-27(26)33/h18-19,21-22,24,31H,3-17,20,23H2,1-2H3,(H,30,32)