1,3-dimethyl-7-(3-phenylpropyl)-8-(prop-2-enylamino)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(3-phenylpropyl)-8-(prop-2-enylamino)purine-2,6-dione Openeye Name: 8-(allylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(3-phenylpropyl)-8-(prop-2-enylamino)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(3-phenylpropyl)-8-(prop-2-enylamino)purine-2,6-dione Traditional Name: 8-(allylamino)-1,3-dimethyl-7-(3-phenylpropyl)xanthine Formula: C19H23N5O2 MolecularWeight: 353.41822

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC=C)CCCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC=C)CCCC3=CC=CC=C3

InChI

InChI=1S/C19H23N5O2/c1-4-12-20-18-21-16-15(17(25)23(3)19(26)22(16)2)24(18)13-8-11-14-9-6-5-7-10-14/h4-7,9-10H,1,8,11-13H2,2-3H3,(H,20,21)