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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC(=NC=C2C(=O)NN3CCCCCC3=O)N4CCC5=CC=CC=C54

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC(=NC=C2C(=O)NN3CCCCCC3=O)N4CCC5=CC=CC=C54

InChI

InChI=1S/C27H30N6O3/c1-36-21-12-10-19(11-13-21)17-28-25-22(26(35)31-33-15-6-2-3-9-24(33)34)18-29-27(30-25)32-16-14-20-7-4-5-8-23(20)32/h4-5,7-8,10-13,18H,2-3,6,9,14-17H2,1H3,(H,31,35)(H,28,29,30)