9-(2-imidazol-1-ylethyl)-2,4-dipyrrolidin-1-yl-pyrimido[4,5-b]indole; sulfuric acid

Systemtic Name: 9-(2-imidazol-1-ylethyl)-2,4-dipyrrolidin-1-yl-pyrimido[4,5-b]indole; sulfuric acid Openeye Name: 9-(2-imidazol-1-ylethyl)-2,4-dipyrrolidin-1-yl-pyrimido[4,5-b]indole; sulfuric acid CAS Name: 9-[2-(1-imidazolyl)ethyl]-2,4-bis(1-pyrrolidinyl)pyrimido[4,5-b]indole; sulfuric acid IUPAC Name: 9-(2-imidazol-1-ylethyl)-2,4-dipyrrolidin-1-ylpyrimido[4,5-b]indole; sulfuric acid Traditional Name: 9-(2-imidazol-1-ylethyl)-2,4-dipyrrolidino-pyrimid[4,5-b]indole; sulfuric acid Formula: C23H29N7O4S MolecularWeight: 499.58586

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC3=C2C4=CC=CC=C4N3CCN5C=CN=C5)N6CCCC6.OS(=O)(=O)O

Isomeric SMILES

C1CCN(C1)C2=NC(=NC3=C2C4=CC=CC=C4N3CCN5C=CN=C5)N6CCCC6.OS(=O)(=O)O

InChI

InChI=1S/C23H27N7.H2O4S/c1-2-8-19-18(7-1)20-21(28-10-3-4-11-28)25-23(29-12-5-6-13-29)26-22(20)30(19)16-15-27-14-9-24-17-27;1-5(2,3)4/h1-2,7-9,14,17H,3-6,10-13,15-16H2;(H2,1,2,3,4)