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

Systemtic Name: 8-(ethylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-(ethylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 8-(ethylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-(ethylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-(ethylamino)-1,3-dimethyl-7-(3-phenylpropyl)xanthine Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCNC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C18H23N5O2/c1-4-19-17-20-15-14(16(24)22(3)18(25)21(15)2)23(17)12-8-11-13-9-6-5-7-10-13/h5-7,9-10H,4,8,11-12H2,1-3H3,(H,19,20)