CC(C)(C)OC(=O)NC(=N)c1ccc(CNC(=O)[C@@H]2CCc3ncc(N)c(=O)n32)cc1

Nombre: intermediate 1j

IUPAC: tert-butyl N-[4-[[[(6S)-3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carbonyl]amino]methyl]benzenecarboximidoyl]carbamate

SMILES: CC(C)(C)OC(=O)NC(=N)c1ccc(CNC(=O)[C@@H]2CCc3ncc(N)c(=O)n32)cc1

Canonical SMILES: CC(C)(C)OC(=O)NC(=N)C1=CC=C(C=C1)CNC(=O)C2CCC3=NC=C(C(=O)N23)N

Fórmula molecular: C21H26N6O4

Masa molecular: 426.50

InChIKey: KWKVYAJRZRYLLR-HNNXBMFYSA-N

InChI:

InChI=1S/C21H26N6O4/c1-21(2,3)31-20(30)26-17(23)13-6-4-12(5-7-13)10-25-18(28)15-8-9-16-24-11-14(22)19(29)27(15)16/h4-7,11,15H,8-10,22H2,1-3H3,(H,25,28)(H2,23,26,30)/t15-/m0/s1

PubChem CID: 145857226 →

Busqueda Extendida

Busqueda de Subestructura→Busqueda de Similitud→