1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-2-cyclobutyl-ethanone; chloranylbenzene

Systemtic Name: 1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-2-cyclobutyl-ethanone; chloranylbenzene Openeye Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-2-cyclobutyl-ethanone; chlorobenzene CAS Name: 1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-2-cyclobutylethanone; chlorobenzene IUPAC Name: 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-cyclobutylethanone; chlorobenzene Traditional Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-2-cyclobutyl-ethanone; chlorobenzene Formula: C26H32ClN5O3 MolecularWeight: 498.01698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)CC4CCC4)N)OC.C1=CC=C(C=C1)Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)CC4CCC4)N)OC.C1=CC=C(C=C1)Cl

InChI

InChI=1S/C20H27N5O3.C6H5Cl/c1-27-16-11-14-15(12-17(16)28-2)22-20(23-19(14)21)25-8-6-24(7-9-25)18(26)10-13-4-3-5-13;7-6-4-2-1-3-5-6/h11-13H,3-10H2,1-2H3,(H2,21,22,23);1-5H