[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(3-iodanylphenyl)methanone

Systemtic Name: [4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(3-iodanylphenyl)methanone Openeye Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(3-iodophenyl)methanone CAS Name: [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-(3-iodophenyl)methanone IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-iodophenyl)methanone Traditional Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-(3-iodophenyl)methanone Formula: C21H22IN5O3 MolecularWeight: 519.33555

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22IN5O3/c1-29-17-11-15-16(12-18(17)30-2)24-21(25-19(15)23)27-8-6-26(7-9-27)20(28)13-4-3-5-14(22)10-13/h3-5,10-12H,6-9H2,1-2H3,(H2,23,24,25)