1-ethyl-3-(3-morpholin-4-ium-4-ylpropyl)-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]thiourea

Systemtic Name: 1-ethyl-3-(3-morpholin-4-ium-4-ylpropyl)-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]thiourea Openeye Name: 1-ethyl-3-(3-morpholin-4-ium-4-ylpropyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea CAS Name: 1-ethyl-3-[3-(4-morpholin-4-iumyl)propyl]-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea IUPAC Name: 1-ethyl-3-(3-morpholin-4-ium-4-ylpropyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea Traditional Name: 1-ethyl-1-[(4-keto-1H-quinazolin-2-yl)methyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C19H28N5O2S+ MolecularWeight: 390.52292

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C19H27N5O2S/c1-2-24(19(27)20-8-5-9-23-10-12-26-13-11-23)14-17-21-16-7-4-3-6-15(16)18(25)22-17/h3-4,6-7H,2,5,8-14H2,1H3,(H,20,27)(H,21,22,25)/p+1