6,7-dimethoxy-3-phenethyl-2-(pyridin-4-ylmethylsulfanyl)quinazolin-3-ium-4-amine

Systemtic Name: 6,7-dimethoxy-3-phenethyl-2-(pyridin-4-ylmethylsulfanyl)quinazolin-3-ium-4-amine Openeye Name: 6,7-dimethoxy-3-phenethyl-2-(4-pyridylmethylsulfanyl)quinazolin-3-ium-4-amine CAS Name: 6,7-dimethoxy-3-phenethyl-2-(pyridin-4-ylmethylthio)-4-quinazolin-3-iumamine IUPAC Name: 6,7-dimethoxy-3-phenethyl-2-(pyridin-4-ylmethylsulfanyl)quinazolin-3-ium-4-amine Traditional Name: [6,7-dimethoxy-3-phenethyl-2-(4-pyridylmethylthio)quinazolin-3-ium-4-yl]amine Formula: C24H25N4O2S+ MolecularWeight: 433.5459

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=[N+](C(=N2)SCC3=CC=NC=C3)CCC4=CC=CC=C4)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=[N+](C(=N2)SCC3=CC=NC=C3)CCC4=CC=CC=C4)N)OC

InChI

InChI=1S/C24H24N4O2S/c1-29-21-14-19-20(15-22(21)30-2)27-24(31-16-18-8-11-26-12-9-18)28(23(19)25)13-10-17-6-4-3-5-7-17/h3-9,11-12,14-15,25H,10,13,16H2,1-2H3/p+1