3-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-ylamino)benzoic acid

Systemtic Name: 3-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-ylamino)benzoic acid Openeye Name: 3-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-ylamino)benzoic acid CAS Name: 3-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-ylamino)benzoic acid IUPAC Name: 3-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-ylamino)benzoic acid Traditional Name: 3-(6,7,8,9-tetrahydro-5H-pyrimid[4,5-b]indol-4-ylamino)benzoic acid Formula: C17H16N4O2 MolecularWeight: 308.33454

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(N2)N=CN=C3NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C3=C(N2)N=CN=C3NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C17H16N4O2/c22-17(23)10-4-3-5-11(8-10)20-15-14-12-6-1-2-7-13(12)21-16(14)19-9-18-15/h3-5,8-9H,1-2,6-7H2,(H,22,23)(H2,18,19,20,21)