3-[[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-6-iodanyl-quinazolin-4-yl]amino]propan-1-ol

Systemtic Name: 3-[[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-6-iodanyl-quinazolin-4-yl]amino]propan-1-ol Openeye Name: 3-[[2-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-6-iodo-quinazolin-4-yl]amino]propan-1-ol CAS Name: 3-[[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-6-iodo-4-quinazolinyl]amino]-1-propanol IUPAC Name: 3-[[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-6-iodoquinazolin-4-yl]amino]propan-1-ol Traditional Name: 3-[[2-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-6-iodo-quinazolin-4-yl]amino]propan-1-ol Formula: C21H22IN3O3 MolecularWeight: 491.32215

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C=CC2=NC3=C(C=C(C=C3)I)C(=N2)NCCCO)OC

Isomeric SMILES

COC1=CC(=CC(=C1)/C=C/C2=NC3=C(C=C(C=C3)I)C(=N2)NCCCO)OC

InChI

InChI=1S/C21H22IN3O3/c1-27-16-10-14(11-17(13-16)28-2)4-7-20-24-19-6-5-15(22)12-18(19)21(25-20)23-8-3-9-26/h4-7,10-13,26H,3,8-9H2,1-2H3,(H,23,24,25)/b7-4+