N-[5-azanyl-6-methanoyl-4-methoxy-9-(phenylmethyl)-7,8-dihydropyrimido[4,5-b]azepin-2-yl]-2,2-dimethyl-propanamide

Systemtic Name: N-[5-azanyl-6-methanoyl-4-methoxy-9-(phenylmethyl)-7,8-dihydropyrimido[4,5-b]azepin-2-yl]-2,2-dimethyl-propanamide Openeye Name: N-(5-amino-9-benzyl-6-formyl-4-methoxy-7,8-dihydropyrimido[4,5-b]azepin-2-yl)-2,2-dimethyl-propanamide CAS Name: N-[5-amino-6-formyl-4-methoxy-9-(phenylmethyl)-7,8-dihydropyrimido[4,5-b]azepin-2-yl]-2,2-dimethylpropanamide IUPAC Name: N-(5-amino-9-benzyl-6-formyl-4-methoxy-7,8-dihydropyrimido[4,5-b]azepin-2-yl)-2,2-dimethylpropanamide Traditional Name: N-(5-amino-9-benzyl-6-formyl-4-methoxy-7,8-dihydropyrimid[4,5-b]azepin-2-yl)-2,2-dimethyl-propionamide Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=NC2=C(C(=C(CCN2CC3=CC=CC=C3)C=O)N)C(=N1)OC

Isomeric SMILES

CC(C)(C)C(=O)NC1=NC2=C(C(=C(CCN2CC3=CC=CC=C3)C=O)N)C(=N1)OC

InChI

InChI=1S/C22H27N5O3/c1-22(2,3)20(29)26-21-24-18-16(19(25-21)30-4)17(23)15(13-28)10-11-27(18)12-14-8-6-5-7-9-14/h5-9,13H,10-12,23H2,1-4H3,(H,24,25,26,29)