6-azanyl-3-(4-methoxy-1,3-benzothiazol-2-yl)-4aH-quinazolin-3-ium-4-one

Systemtic Name: 6-azanyl-3-(4-methoxy-1,3-benzothiazol-2-yl)-4aH-quinazolin-3-ium-4-one Openeye Name: 6-amino-3-(4-methoxy-1,3-benzothiazol-2-yl)-4aH-quinazolin-3-ium-4-one CAS Name: 6-amino-3-(4-methoxy-1,3-benzothiazol-2-yl)-4aH-quinazolin-3-ium-4-one IUPAC Name: 6-amino-3-(4-methoxy-1,3-benzothiazol-2-yl)-4aH-quinazolin-3-ium-4-one Traditional Name: 6-amino-3-(4-methoxy-1,3-benzothiazol-2-yl)-4aH-quinazolin-3-ium-4-one Formula: C16H13N4O2S+ MolecularWeight: 325.36502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC=C1)SC(=N2)[N+]3=CN=C4C=CC(=CC4C3=O)N

Isomeric SMILES

COC1=C2C(=CC=C1)SC(=N2)[N+]3=CN=C4C=CC(=CC4C3=O)N

InChI

InChI=1S/C16H13N4O2S/c1-22-12-3-2-4-13-14(12)19-16(23-13)20-8-18-11-6-5-9(17)7-10(11)15(20)21/h2-8,10H,17H2,1H3/q+1