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

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)


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