(phenylmethyl) N-[3-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-3-oxidanylidene-propyl]carbamate

Systemtic Name: (phenylmethyl) N-[3-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-3-oxidanylidene-propyl]carbamate Openeye Name: benzyl N-[3-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-3-oxo-propyl]carbamate CAS Name: N-[3-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-3-oxopropyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-3-oxopropyl]carbamate Traditional Name: N-[3-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-3-keto-propyl]carbamic acid benzyl ester Formula: C25H30N6O5 MolecularWeight: 494.5429

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)CCNC(=O)OCC4=CC=CC=C4)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)CCNC(=O)OCC4=CC=CC=C4)N)OC

InChI

InChI=1S/C25H30N6O5/c1-34-20-14-18-19(15-21(20)35-2)28-24(29-23(18)26)31-12-10-30(11-13-31)22(32)8-9-27-25(33)36-16-17-6-4-3-5-7-17/h3-7,14-15H,8-13,16H2,1-2H3,(H,27,33)(H2,26,28,29)