3-[4-(4-azanyl-6,7-diethoxy-quinazolin-2-yl)piperazin-1-yl]-5,5-dimethyl-cyclohex-2-en-1-one

Systemtic Name: 3-[4-(4-azanyl-6,7-diethoxy-quinazolin-2-yl)piperazin-1-yl]-5,5-dimethyl-cyclohex-2-en-1-one Openeye Name: 3-[4-(4-amino-6,7-diethoxy-quinazolin-2-yl)piperazin-1-yl]-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 3-[4-(4-amino-6,7-diethoxy-2-quinazolinyl)-1-piperazinyl]-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 3-[4-(4-amino-6,7-diethoxyquinazolin-2-yl)piperazin-1-yl]-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 3-[4-(4-amino-6,7-diethoxy-quinazolin-2-yl)piperazino]-5,5-dimethyl-cyclohex-2-en-1-one Formula: C24H33N5O3 MolecularWeight: 439.55052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C4=CC(=O)CC(C4)(C)C)N)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C4=CC(=O)CC(C4)(C)C)N)OCC

InChI

InChI=1S/C24H33N5O3/c1-5-31-20-12-18-19(13-21(20)32-6-2)26-23(27-22(18)25)29-9-7-28(8-10-29)16-11-17(30)15-24(3,4)14-16/h11-13H,5-10,14-15H2,1-4H3,(H2,25,26,27)