4-[2-[5-(diethylamino)pentan-2-ylamino]-4-phenyl-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[2-[5-(diethylamino)pentan-2-ylamino]-4-phenyl-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[2-[[4-(diethylamino)-1-methyl-butyl]amino]-4-phenyl-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[2-[5-(diethylamino)pentan-2-ylamino]-4-phenyl-1H-pyrimidin-6-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[2-[5-(diethylamino)pentan-2-ylamino]-4-phenyl-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[2-[[4-(diethylamino)-1-methyl-butyl]amino]-4-phenyl-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one Formula: C25H32N4O MolecularWeight: 404.54778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)NC1=NC(=CC(=C2C=CC(=O)C=C2)N1)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCCC(C)NC1=NC(=CC(=C2C=CC(=O)C=C2)N1)C3=CC=CC=C3

InChI

InChI=1S/C25H32N4O/c1-4-29(5-2)17-9-10-19(3)26-25-27-23(20-11-7-6-8-12-20)18-24(28-25)21-13-15-22(30)16-14-21/h6-8,11-16,18-19H,4-5,9-10,17H2,1-3H3,(H2,26,27,28)