1-[[2-(diethylamino)-6,7-dimethoxy-quinazolin-4-yl]amino]-1-methyl-urea hydrate

Systemtic Name: 1-[[2-(diethylamino)-6,7-dimethoxy-quinazolin-4-yl]amino]-1-methyl-urea hydrate Openeye Name: 1-[[2-(diethylamino)-6,7-dimethoxy-quinazolin-4-yl]amino]-1-methyl-urea hydrate CAS Name: 1-[[2-(diethylamino)-6,7-dimethoxy-4-quinazolinyl]amino]-1-methylurea hydrate IUPAC Name: 1-[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]-1-methylurea hydrate Traditional Name: 1-[[2-(diethylamino)-6,7-dimethoxy-quinazolin-4-yl]amino]-1-methyl-urea hydrate Formula: C16H26N6O4 MolecularWeight: 366.41544

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC2=CC(=C(C=C2C(=N1)NN(C)C(=O)N)OC)OC.O

Isomeric SMILES

CCN(CC)C1=NC2=CC(=C(C=C2C(=N1)NN(C)C(=O)N)OC)OC.O

InChI

InChI=1S/C16H24N6O3.H2O/c1-6-22(7-2)16-18-11-9-13(25-5)12(24-4)8-10(11)14(19-16)20-21(3)15(17)23;/h8-9H,6-7H2,1-5H3,(H2,17,23)(H,18,19,20);1H2