4-methyl-6-oxidanyl-1-(3-phenylpropyl)-3H-quinazoline-2,7-dione hydrate

Systemtic Name: 4-methyl-6-oxidanyl-1-(3-phenylpropyl)-3H-quinazoline-2,7-dione hydrate Openeye Name: 6-hydroxy-4-methyl-1-(3-phenylpropyl)-3H-quinazoline-2,7-dione hydrate CAS Name: 6-hydroxy-4-methyl-1-(3-phenylpropyl)-3H-quinazoline-2,7-dione hydrate IUPAC Name: 6-hydroxy-4-methyl-1-(3-phenylpropyl)-3H-quinazoline-2,7-dione hydrate Traditional Name: 6-hydroxy-4-methyl-1-(3-phenylpropyl)-3H-quinazoline-2,7-quinone hydrate Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=O)C=C2N(C(=O)N1)CCCC3=CC=CC=C3)O.O

Isomeric SMILES

CC1=C2C=C(C(=O)C=C2N(C(=O)N1)CCCC3=CC=CC=C3)O.O

InChI

InChI=1S/C18H18N2O3.H2O/c1-12-14-10-16(21)17(22)11-15(14)20(18(23)19-12)9-5-8-13-6-3-2-4-7-13;/h2-4,6-7,10-11,21H,5,8-9H2,1H3,(H,19,23);1H2