9-[(phenylmethyl)amino]-3H-purin-6-one

Systemtic Name: 9-[(phenylmethyl)amino]-3H-purin-6-one Openeye Name: 9-(benzylamino)-3H-purin-6-one CAS Name: 9-[(phenylmethyl)amino]-3H-purin-6-one IUPAC Name: 9-(benzylamino)-3H-purin-6-one Traditional Name: 9-(benzylamino)-3H-purin-6-one Formula: C12H11N5O MolecularWeight: 241.24864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNN2C=NC3=C2NC=NC3=O

Isomeric SMILES

C1=CC=C(C=C1)CNN2C=NC3=C2NC=NC3=O

InChI

InChI=1S/C12H11N5O/c18-12-10-11(13-7-14-12)17(8-15-10)16-6-9-4-2-1-3-5-9/h1-5,7-8,16H,6H2,(H,13,14,18)