6-azanyl-1,3-dimethyl-5-[2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1,3-dimethyl-5-[2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1,3-dimethyl-5-[2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione CAS Name: 6-amino-1,3-dimethyl-5-[2-[[3-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1,3-dimethyl-5-[2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[[4-keto-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-2-yl]thio]acetyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C23H29N6O5S+ MolecularWeight: 501.57856

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4)N

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4)N

InChI

InChI=1S/C23H28N6O5S/c1-26-19(24)18(21(32)27(2)23(26)33)17(30)14-35-22-25-16-7-4-3-6-15(16)20(31)29(22)9-5-8-28-10-12-34-13-11-28/h3-4,6-7H,5,8-14,24H2,1-2H3/p+1