N-ethyl-7,8-dimethoxy-4-oxidanylidene-1H-pyrimido[4,5-b]quinoline-2-carboxamide dihydrate hydrochloride

Systemtic Name: N-ethyl-7,8-dimethoxy-4-oxidanylidene-1H-pyrimido[4,5-b]quinoline-2-carboxamide dihydrate hydrochloride Openeye Name: N-ethyl-7,8-dimethoxy-4-oxo-1H-pyrimido[4,5-b]quinoline-2-carboxamide dihydrate hydrochloride CAS Name: N-ethyl-7,8-dimethoxy-4-oxo-1H-pyrimido[4,5-b]quinoline-2-carboxamide dihydrate hydrochloride IUPAC Name: N-ethyl-7,8-dimethoxy-4-oxo-1H-pyrimido[4,5-b]quinoline-2-carboxamide dihydrate hydrochloride Traditional Name: N-ethyl-4-keto-7,8-dimethoxy-1H-pyrimido[4,5-b]quinoline-2-carboxamide dihydrate hydrochloride Formula: C16H21ClN4O6 MolecularWeight: 400.81414

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=NC(=O)C2=C(N1)N=C3C=C(C(=CC3=C2)OC)OC.O.O.Cl

Isomeric SMILES

CCNC(=O)C1=NC(=O)C2=C(N1)N=C3C=C(C(=CC3=C2)OC)OC.O.O.Cl

InChI

InChI=1S/C16H16N4O4.ClH.2H2O/c1-4-17-16(22)14-19-13-9(15(21)20-14)5-8-6-11(23-2)12(24-3)7-10(8)18-13;;;/h5-7H,4H2,1-3H3,(H,17,22)(H,18,19,20,21);1H;2*1H2