3-methyl-7-(phenylmethyl)-8-(prop-2-enylamino)purine-2,6-dione

Systemtic Name: 3-methyl-7-(phenylmethyl)-8-(prop-2-enylamino)purine-2,6-dione Openeye Name: 8-(allylamino)-7-benzyl-3-methyl-purine-2,6-dione CAS Name: 3-methyl-7-(phenylmethyl)-8-(prop-2-enylamino)purine-2,6-dione IUPAC Name: 7-benzyl-3-methyl-8-(prop-2-enylamino)purine-2,6-dione Traditional Name: 8-(allylamino)-7-benzyl-3-methyl-xanthine Formula: C16H17N5O2 MolecularWeight: 311.33848

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC=C)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC=C)CC3=CC=CC=C3

InChI

InChI=1S/C16H17N5O2/c1-3-9-17-15-18-13-12(14(22)19-16(23)20(13)2)21(15)10-11-7-5-4-6-8-11/h3-8H,1,9-10H2,2H3,(H,17,18)(H,19,22,23)