1-(6,7-diethoxy-2-thiomorpholin-4-yl-quinazolin-4-yl)-1,6-dimethyl-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione

Systemtic Name: 1-(6,7-diethoxy-2-thiomorpholin-4-yl-quinazolin-4-yl)-1,6-dimethyl-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione Openeye Name: 1-(6,7-diethoxy-2-thiomorpholino-quinazolin-4-yl)-1,6-dimethyl-3-(4-piperidyl)quinazolin-1-ium-2,4-dione CAS Name: 1-(6,7-diethoxy-2-thiomorpholin-4-yl-4-quinazolinyl)-1,6-dimethyl-3-(4-piperidinyl)quinazolin-1-ium-2,4-dione IUPAC Name: 1-(6,7-diethoxy-2-thiomorpholin-4-ylquinazolin-4-yl)-1,6-dimethyl-3-piperidin-4-ylquinazolin-1-ium-2,4-dione Traditional Name: 1-(6,7-diethoxy-2-thiomorpholino-quinazolin-4-yl)-1,6-dimethyl-3-(4-piperidyl)quinazolin-1-ium-2,4-quinone Formula: C31H39N6O4S+ MolecularWeight: 591.74416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=NC(=N2)N3CCSCC3)[N+]4(C5=C(C=C(C=C5)C)C(=O)N(C4=O)C6CCNCC6)C)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=NC(=N2)N3CCSCC3)[N+]4(C5=C(C=C(C=C5)C)C(=O)N(C4=O)C6CCNCC6)C)OCC

InChI

InChI=1S/C31H39N6O4S/c1-5-40-26-18-22-24(19-27(26)41-6-2)33-30(35-13-15-42-16-14-35)34-28(22)37(4)25-8-7-20(3)17-23(25)29(38)36(31(37)39)21-9-11-32-12-10-21/h7-8,17-19,21,32H,5-6,9-16H2,1-4H3/q+1