2-[(2-methoxyphenyl)methylamino]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-4-(phenethylamino)pyrimidine-5-carboxamide

Systemtic Name: 2-[(2-methoxyphenyl)methylamino]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-4-(phenethylamino)pyrimidine-5-carboxamide Openeye Name: 2-[(2-methoxyphenyl)methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(phenethylamino)pyrimidine-5-carboxamide CAS Name: 2-[(2-methoxyphenyl)methylamino]-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-4-(phenethylamino)-5-pyrimidinecarboxamide IUPAC Name: 2-[(2-methoxyphenyl)methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(phenethylamino)pyrimidine-5-carboxamide Traditional Name: N-[3-(2-ketopyrrolidino)propyl]-2-(o-anisylamino)-4-(phenethylamino)pyrimidine-5-carboxamide Formula: C28H34N6O3 MolecularWeight: 502.60796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC2=NC=C(C(=N2)NCCC3=CC=CC=C3)C(=O)NCCCN4CCCC4=O

Isomeric SMILES

COC1=CC=CC=C1CNC2=NC=C(C(=N2)NCCC3=CC=CC=C3)C(=O)NCCCN4CCCC4=O

InChI

InChI=1S/C28H34N6O3/c1-37-24-12-6-5-11-22(24)19-31-28-32-20-23(26(33-28)29-16-14-21-9-3-2-4-10-21)27(36)30-15-8-18-34-17-7-13-25(34)35/h2-6,9-12,20H,7-8,13-19H2,1H3,(H,30,36)(H2,29,31,32,33)