2-(2,3-dihydroindol-1-yl)-4-[(4-methoxyphenyl)methylamino]-N-(2-oxidanylideneazepan-3-yl)pyrimidine-5-carboxamide

Systemtic Name: 2-(2,3-dihydroindol-1-yl)-4-[(4-methoxyphenyl)methylamino]-N-(2-oxidanylideneazepan-3-yl)pyrimidine-5-carboxamide Openeye Name: 2-indolin-1-yl-4-[(4-methoxyphenyl)methylamino]-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide CAS Name: 2-(2,3-dihydroindol-1-yl)-4-[(4-methoxyphenyl)methylamino]-N-(2-oxo-3-azepanyl)-5-pyrimidinecarboxamide IUPAC Name: 2-(2,3-dihydroindol-1-yl)-4-[(4-methoxyphenyl)methylamino]-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide Traditional Name: 2-indolin-1-yl-N-(2-ketoazepan-3-yl)-4-(p-anisylamino)pyrimidine-5-carboxamide Formula: C27H30N6O3 MolecularWeight: 486.5655

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC(=NC=C2C(=O)NC3CCCCNC3=O)N4CCC5=CC=CC=C54

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC(=NC=C2C(=O)NC3CCCCNC3=O)N4CCC5=CC=CC=C54

InChI

InChI=1S/C27H30N6O3/c1-36-20-11-9-18(10-12-20)16-29-24-21(25(34)31-22-7-4-5-14-28-26(22)35)17-30-27(32-24)33-15-13-19-6-2-3-8-23(19)33/h2-3,6,8-12,17,22H,4-5,7,13-16H2,1H3,(H,28,35)(H,31,34)(H,29,30,32)