N-(4-phenoxybutyl)quinazolin-4-amine hydrate

Systemtic Name: N-(4-phenoxybutyl)quinazolin-4-amine hydrate Openeye Name: N-(4-phenoxybutyl)quinazolin-4-amine hydrate CAS Name: N-(4-phenoxybutyl)-4-quinazolinamine hydrate IUPAC Name: N-(4-phenoxybutyl)quinazolin-4-amine hydrate Traditional Name: 4-phenoxybutyl(quinazolin-4-yl)amine hydrate Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCNC2=NC=NC3=CC=CC=C32.O

Isomeric SMILES

C1=CC=C(C=C1)OCCCCNC2=NC=NC3=CC=CC=C32.O

InChI

InChI=1S/C18H19N3O.H2O/c1-2-8-15(9-3-1)22-13-7-6-12-19-18-16-10-4-5-11-17(16)20-14-21-18;/h1-5,8-11,14H,6-7,12-13H2,(H,19,20,21);1H2