1-ethyl-1-[2-(6-iodanyl-2-methyl-4-oxidanylidene-quinazolin-3-yl)ethyl]-3-phenyl-thiourea

Systemtic Name: 1-ethyl-1-[2-(6-iodanyl-2-methyl-4-oxidanylidene-quinazolin-3-yl)ethyl]-3-phenyl-thiourea Openeye Name: 1-ethyl-1-[2-(6-iodo-2-methyl-4-oxo-quinazolin-3-yl)ethyl]-3-phenyl-thiourea CAS Name: 1-ethyl-1-[2-(6-iodo-2-methyl-4-oxo-3-quinazolinyl)ethyl]-3-phenylthiourea IUPAC Name: 1-ethyl-1-[2-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)ethyl]-3-phenylthiourea Traditional Name: 1-ethyl-1-[2-(6-iodo-4-keto-2-methyl-quinazolin-3-yl)ethyl]-3-phenyl-thiourea Formula: C20H21IN4OS MolecularWeight: 492.37641

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCN1C(=NC2=C(C1=O)C=C(C=C2)I)C)C(=S)NC3=CC=CC=C3

Isomeric SMILES

CCN(CCN1C(=NC2=C(C1=O)C=C(C=C2)I)C)C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C20H21IN4OS/c1-3-24(20(27)23-16-7-5-4-6-8-16)11-12-25-14(2)22-18-10-9-15(21)13-17(18)19(25)26/h4-10,13H,3,11-12H2,1-2H3,(H,23,27)