tert-butyl 2-[2-azanyl-7-[4-oxidanylidene-4-(pyrrolidin-1-ylamino)butanoyl]-4H-quinazolin-3-yl]ethanoate

Systemtic Name: tert-butyl 2-[2-azanyl-7-[4-oxidanylidene-4-(pyrrolidin-1-ylamino)butanoyl]-4H-quinazolin-3-yl]ethanoate Openeye Name: tert-butyl 2-[2-amino-7-[4-oxo-4-(pyrrolidin-1-ylamino)butanoyl]-4H-quinazolin-3-yl]acetate CAS Name: 2-[2-amino-7-[1,4-dioxo-4-(1-pyrrolidinylamino)butyl]-4H-quinazolin-3-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-amino-7-[4-oxo-4-(pyrrolidin-1-ylamino)butanoyl]-4H-quinazolin-3-yl]acetate Traditional Name: 2-[2-amino-7-[4-keto-4-(pyrrolidinoamino)butanoyl]-4H-quinazolin-3-yl]acetic acid tert-butyl ester Formula: C22H31N5O4 MolecularWeight: 429.51264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CC2=C(C=C(C=C2)C(=O)CCC(=O)NN3CCCC3)N=C1N

Isomeric SMILES

CC(C)(C)OC(=O)CN1CC2=C(C=C(C=C2)C(=O)CCC(=O)NN3CCCC3)N=C1N

InChI

InChI=1S/C22H31N5O4/c1-22(2,3)31-20(30)14-26-13-16-7-6-15(12-17(16)24-21(26)23)18(28)8-9-19(29)25-27-10-4-5-11-27/h6-7,12H,4-5,8-11,13-14H2,1-3H3,(H2,23,24)(H,25,29)