[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone dihydrate

Systemtic Name: [4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone dihydrate Openeye Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-tetrahydrofuran-2-yl-methanone dihydrate CAS Name: [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-(2-oxolanyl)methanone dihydrate IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone dihydrate Traditional Name: [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-(tetrahydrofuryl)methanone dihydrate Formula: C19H29N5O6 MolecularWeight: 423.46346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCCO4)N)OC.O.O

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCCO4)N)OC.O.O

InChI

InChI=1S/C19H25N5O4.2H2O/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14;;/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22);2*1H2