1-phenyl-N-(phenylmethyl)methanamine; 1,3,7-trimethylpurine-2,6-dione

Systemtic Name: 1-phenyl-N-(phenylmethyl)methanamine; 1,3,7-trimethylpurine-2,6-dione Openeye Name: N-benzyl-1-phenyl-methanamine; 1,3,7-trimethylpurine-2,6-dione CAS Name: 1-phenyl-N-(phenylmethyl)methanamine; 1,3,7-trimethylpurine-2,6-dione IUPAC Name: N-benzyl-1-phenylmethanamine; 1,3,7-trimethylpurine-2,6-dione Traditional Name: caffeine; dibenzylamine Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C1=CC=C(C=C1)CNCC2=CC=CC=C2

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C1=CC=C(C=C1)CNCC2=CC=CC=C2

InChI

InChI=1S/C14H15N.C8H10N4O2/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h1-10,15H,11-12H2;4H,1-3H3