4-azanyl-6,7-dimethoxy-3-(thiophen-2-ylmethyl)-1H-quinazolin-3-ium-2-thione

Systemtic Name: 4-azanyl-6,7-dimethoxy-3-(thiophen-2-ylmethyl)-1H-quinazolin-3-ium-2-thione Openeye Name: 4-amino-6,7-dimethoxy-3-(2-thienylmethyl)-1H-quinazolin-3-ium-2-thione CAS Name: 4-amino-6,7-dimethoxy-3-(thiophen-2-ylmethyl)-1H-quinazolin-3-ium-2-thione IUPAC Name: 4-amino-6,7-dimethoxy-3-(thiophen-2-ylmethyl)-1H-quinazolin-3-ium-2-thione Traditional Name: 4-amino-6,7-dimethoxy-3-(2-thenyl)-1H-quinazolin-3-ium-2-thione Formula: C15H16N3O2S2+ MolecularWeight: 334.43644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=[N+](C(=S)N2)CC3=CC=CS3)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=[N+](C(=S)N2)CC3=CC=CS3)N)OC

InChI

InChI=1S/C15H15N3O2S2/c1-19-12-6-10-11(7-13(12)20-2)17-15(21)18(14(10)16)8-9-4-3-5-22-9/h3-7H,8H2,1-2H3,(H2,16,17,21)/p+1