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8-diethylphosphoryl-5H-pyrimido[5,4-b]indole-2-carboxylic acid

8-diethylphosphoryl-5H-pyrimido[5,4-b]indole-2-carboxylic acid

Systemtic Name:8-diethylphosphoryl-5H-pyrimido[5,4-b]indole-2-carboxylic acid
Openeye Name:8-diethylphosphoryl-5H-pyrimido[5,4-b]indole-2-carboxylic acid
CAS Name:8-diethylphosphoryl-5H-pyrimido[5,4-b]indole-2-carboxylic acid
IUPAC Name:8-diethylphosphoryl-5H-pyrimido[5,4-b]indole-2-carboxylic acid
Traditional Name:8-diethylphosphoryl-5H-pyrimid[5,4-b]indole-2-carboxylic acid
Formula: C15H16N3O3P
MolecularWeight: 317.279601
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Descriptors Computed from Structure

Canonical SMILES:

CCP(=O)(CC)C1=CC2=C(C=C1)NC3=CN=C(N=C23)C(=O)O


Isomeric SMILES

CCP(=O)(CC)C1=CC2=C(C=C1)NC3=CN=C(N=C23)C(=O)O


InChI

InChI=1S/C15H16N3O3P/c1-3-22(21,4-2)9-5-6-11-10(7-9)13-12(17-11)8-16-14(18-13)15(19)20/h5-8,17H,3-4H2,1-2H3,(H,19,20)


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