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

Systemtic Name: 3-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-4,5,5-trimethyl-cyclohex-2-en-1-one Openeye Name: 3-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-4,5,5-trimethyl-cyclohex-2-en-1-one CAS Name: 3-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-4,5,5-trimethyl-1-cyclohex-2-enone IUPAC Name: 3-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-4,5,5-trimethylcyclohex-2-en-1-one Traditional Name: 3-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-4,5,5-trimethyl-cyclohex-2-en-1-one Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=CC(=O)CC1(C)C)N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC

Isomeric SMILES

CC1C(=CC(=O)CC1(C)C)N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC

InChI

InChI=1S/C23H31N5O3/c1-14-18(10-15(29)13-23(14,2)3)27-6-8-28(9-7-27)22-25-17-12-20(31-5)19(30-4)11-16(17)21(24)26-22/h10-12,14H,6-9,13H2,1-5H3,(H2,24,25,26)