8-azanyl-2-[2-(4-methoxyphenoxy)phenyl]purin-6-one hydrate

Systemtic Name: 8-azanyl-2-[2-(4-methoxyphenoxy)phenyl]purin-6-one hydrate Openeye Name: 8-amino-2-[2-(4-methoxyphenoxy)phenyl]purin-6-one hydrate CAS Name: 8-amino-2-[2-(4-methoxyphenoxy)phenyl]-6-purinone hydrate IUPAC Name: 8-amino-2-[2-(4-methoxyphenoxy)phenyl]purin-6-one hydrate Traditional Name: 8-amino-2-[2-(4-methoxyphenoxy)phenyl]purin-6-one hydrate Formula: C18H15N5O4 MolecularWeight: 365.3428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=CC=CC=C2C3=NC(=O)C4=NC(=NC4=N3)N.O

Isomeric SMILES

COC1=CC=C(C=C1)OC2=CC=CC=C2C3=NC(=O)C4=NC(=NC4=N3)N.O

InChI

InChI=1S/C18H13N5O3.H2O/c1-25-10-6-8-11(9-7-10)26-13-5-3-2-4-12(13)15-21-16-14(17(24)22-15)20-18(19)23-16;/h2-9H,1H3,(H2,19,21,22,23,24);1H2