tert-butyl N-[3-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]carbamate

Systemtic Name: tert-butyl N-[3-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]carbamate Openeye Name: tert-butyl N-[3-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-oxo-propyl]carbamate CAS Name: N-[3-[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-3-oxopropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-oxopropyl]carbamate Traditional Name: N-[3-[4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-3-keto-propyl]carbamic acid tert-butyl ester Formula: C21H30N6O3 MolecularWeight: 414.5013

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(=O)N1CCN(CC1)CC2=NC3=CC=CC=C3C(=N2)N

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(=O)N1CCN(CC1)CC2=NC3=CC=CC=C3C(=N2)N

InChI

InChI=1S/C21H30N6O3/c1-21(2,3)30-20(29)23-9-8-18(28)27-12-10-26(11-13-27)14-17-24-16-7-5-4-6-15(16)19(22)25-17/h4-7H,8-14H2,1-3H3,(H,23,29)(H2,22,24,25)