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2-carboxy-8-[dimethyl(sulfinato)azaniumyl]-5H-pyrimido[5,4-b]indole

2-carboxy-8-[dimethyl(sulfinato)azaniumyl]-5H-pyrimido[5,4-b]indole

Systemtic Name:2-carboxy-8-[dimethyl(sulfinato)azaniumyl]-5H-pyrimido[5,4-b]indole
Openeye Name:2-carboxy-8-[dimethyl(sulfinato)ammonio]-5H-pyrimido[5,4-b]indole
CAS Name:2-carboxy-8-[dimethyl(sulfinato)ammonio]-5H-pyrimido[5,4-b]indole
IUPAC Name:2-carboxy-8-[dimethyl(sulfinato)azaniumyl]-5H-pyrimido[5,4-b]indole
Traditional Name:2-carboxy-8-[dimethyl(sulfinato)ammonio]-5H-pyrimid[5,4-b]indole
Formula: C13H12N4O4S
MolecularWeight: 320.32378
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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C1=CC2=C(C=C1)NC3=CN=C(N=C23)C(=O)O)S(=O)[O-]


Isomeric SMILES

C[N+](C)(C1=CC2=C(C=C1)NC3=CN=C(N=C23)C(=O)O)S(=O)[O-]


InChI

InChI=1S/C13H12N4O4S/c1-17(2,22(20)21)7-3-4-9-8(5-7)11-10(15-9)6-14-12(16-11)13(18)19/h3-6H,1-2H3,(H2-,14,15,16,18,19,20,21)


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