7-phenethyl-2-pyridin-3-yl-3H-purin-6-one

Systemtic Name: 7-phenethyl-2-pyridin-3-yl-3H-purin-6-one Openeye Name: 7-phenethyl-2-(3-pyridyl)-3H-purin-6-one CAS Name: 7-phenethyl-2-(3-pyridinyl)-3H-purin-6-one IUPAC Name: 7-phenethyl-2-pyridin-3-yl-3H-purin-6-one Traditional Name: 7-phenethyl-2-(3-pyridyl)-3H-purin-6-one Formula: C18H15N5O MolecularWeight: 317.3446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C=NC3=C2C(=O)N=C(N3)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C=NC3=C2C(=O)N=C(N3)C4=CN=CC=C4

InChI

InChI=1S/C18H15N5O/c24-18-15-17(21-16(22-18)14-7-4-9-19-11-14)20-12-23(15)10-8-13-5-2-1-3-6-13/h1-7,9,11-12H,8,10H2,(H,21,22,24)