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

Systemtic Name: [4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(4-azanyl-3-iodanyl-phenyl)methanone Openeye Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(4-amino-3-iodo-phenyl)methanone CAS Name: [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-(4-amino-3-iodophenyl)methanone IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(4-amino-3-iodophenyl)methanone Traditional Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-(4-amino-3-iodo-phenyl)methanone Formula: C21H23IN6O3 MolecularWeight: 534.35019

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23IN6O3/c1-30-17-10-13-16(11-18(17)31-2)25-21(26-19(13)24)28-7-5-27(6-8-28)20(29)12-3-4-15(23)14(22)9-12/h3-4,9-11H,5-8,23H2,1-2H3,(H2,24,25,26)