(E)-1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-3-(4-isothiocyanatophenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-3-(4-isothiocyanatophenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-3-(4-isothiocyanatophenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-3-(4-isothiocyanatophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-3-(4-isothiocyanatophenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-3-(4-isothiocyanatophenyl)prop-2-en-1-one Formula: C24H24N6O3S MolecularWeight: 476.55076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C=CC4=CC=C(C=C4)N=C=S)N)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H24N6O3S/c1-32-20-13-18-19(14-21(20)33-2)27-24(28-23(18)25)30-11-9-29(10-12-30)22(31)8-5-16-3-6-17(7-4-16)26-15-34/h3-8,13-14H,9-12H2,1-2H3,(H2,25,27,28)/b8-5+