methyl-[3-(6-morpholin-4-yl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[3-(6-morpholin-4-yl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[3-(6-morpholino-4-oxo-2-thioxo-1H-quinazolin-3-yl)propyl]ammonium CAS Name: methyl-[3-[6-(4-morpholinyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[3-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propyl]azanium Traditional Name: benzyl-[3-(4-keto-6-morpholino-2-thioxo-1H-quinazolin-3-yl)propyl]-methyl-ammonium Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCN1C(=O)C2=C(C=CC(=C2)N3CCOCC3)NC1=S)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](CCCN1C(=O)C2=C(C=CC(=C2)N3CCOCC3)NC1=S)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N4O2S/c1-25(17-18-6-3-2-4-7-18)10-5-11-27-22(28)20-16-19(26-12-14-29-15-13-26)8-9-21(20)24-23(27)30/h2-4,6-9,16H,5,10-15,17H2,1H3,(H,24,30)/p+1