8-[2-(phenethylamino)pyrimidin-4-yl]-2-phenyl-6,7-dihydro-5H-1,8-naphthyridine-3-carboxylic acid

Systemtic Name: 8-[2-(phenethylamino)pyrimidin-4-yl]-2-phenyl-6,7-dihydro-5H-1,8-naphthyridine-3-carboxylic acid Openeye Name: 8-[2-(phenethylamino)pyrimidin-4-yl]-2-phenyl-6,7-dihydro-5H-1,8-naphthyridine-3-carboxylic acid CAS Name: 8-[2-(phenethylamino)-4-pyrimidinyl]-2-phenyl-6,7-dihydro-5H-1,8-naphthyridine-3-carboxylic acid IUPAC Name: 8-[2-(phenethylamino)pyrimidin-4-yl]-2-phenyl-6,7-dihydro-5H-1,8-naphthyridine-3-carboxylic acid Traditional Name: 8-[2-(phenethylamino)pyrimidin-4-yl]-2-phenyl-6,7-dihydro-5H-1,8-naphthyridine-3-carboxylic acid Formula: C27H25N5O2 MolecularWeight: 451.5197

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(N=C(C(=C2)C(=O)O)C3=CC=CC=C3)N(C1)C4=NC(=NC=C4)NCCC5=CC=CC=C5

Isomeric SMILES

C1CC2=C(N=C(C(=C2)C(=O)O)C3=CC=CC=C3)N(C1)C4=NC(=NC=C4)NCCC5=CC=CC=C5

InChI

InChI=1S/C27H25N5O2/c33-26(34)22-18-21-12-7-17-32(25(21)31-24(22)20-10-5-2-6-11-20)23-14-16-29-27(30-23)28-15-13-19-8-3-1-4-9-19/h1-6,8-11,14,16,18H,7,12-13,15,17H2,(H,33,34)(H,28,29,30)