7-(benzotriazol-1-ylmethyl)-1,3-dipropyl-purine-2,6-dione

Systemtic Name: 7-(benzotriazol-1-ylmethyl)-1,3-dipropyl-purine-2,6-dione Openeye Name: 7-(benzotriazol-1-ylmethyl)-1,3-dipropyl-purine-2,6-dione CAS Name: 7-(1-benzotriazolylmethyl)-1,3-dipropylpurine-2,6-dione IUPAC Name: 7-(benzotriazol-1-ylmethyl)-1,3-dipropylpurine-2,6-dione Traditional Name: 7-(benzotriazol-1-ylmethyl)-1,3-dipropyl-xanthine Formula: C18H21N7O2 MolecularWeight: 367.40504

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C=N2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C=N2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H21N7O2/c1-3-9-23-16-15(17(26)24(10-4-2)18(23)27)22(11-19-16)12-25-14-8-6-5-7-13(14)20-21-25/h5-8,11H,3-4,9-10,12H2,1-2H3