phenylmethanamine; 7H-purine

Systemtic Name: phenylmethanamine; 7H-purine Openeye Name: phenylmethanamine; 7H-purine CAS Name: phenylmethanamine; 7H-purine IUPAC Name: phenylmethanamine; 7H-purine Traditional Name: benzylamine; 7H-purine Formula: C12H13N5 MolecularWeight: 227.26512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN.C1=C2C(=NC=N1)N=CN2

Isomeric SMILES

C1=CC=C(C=C1)CN.C1=C2C(=NC=N1)N=CN2

InChI

InChI=1S/C7H9N.C5H4N4/c8-6-7-4-2-1-3-5-7;1-4-5(8-2-6-1)9-3-7-4/h1-5H,6,8H2;1-3H,(H,6,7,8,9)