1-(2-dimethylaminoethyl)-3-(3-fluoranyl-4-methyl-phenyl)-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]thiourea

Systemtic Name: 1-(2-dimethylaminoethyl)-3-(3-fluoranyl-4-methyl-phenyl)-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]thiourea Openeye Name: 1-(2-dimethylaminoethyl)-3-(3-fluoro-4-methyl-phenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea CAS Name: 1-(2-dimethylaminoethyl)-3-(3-fluoro-4-methylphenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea IUPAC Name: 1-(2-dimethylaminoethyl)-3-(3-fluoro-4-methylphenyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea Traditional Name: 1-(2-dimethylaminoethyl)-3-(3-fluoro-4-methyl-phenyl)-1-[(4-keto-1H-quinazolin-2-yl)methyl]thiourea Formula: C21H24FN5OS MolecularWeight: 413.511563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N(CCN(C)C)CC2=NC(=O)C3=CC=CC=C3N2)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N(CCN(C)C)CC2=NC(=O)C3=CC=CC=C3N2)F

InChI

InChI=1S/C21H24FN5OS/c1-14-8-9-15(12-17(14)22)23-21(29)27(11-10-26(2)3)13-19-24-18-7-5-4-6-16(18)20(28)25-19/h4-9,12H,10-11,13H2,1-3H3,(H,23,29)(H,24,25,28)