7-[2-(1,2-dihydroacenaphthylen-5-ylamino)ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-(1,2-dihydroacenaphthylen-5-ylamino)ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(1,2-dihydroacenaphthylen-5-ylamino)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(1,2-dihydroacenaphthylen-5-ylamino)ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(1,2-dihydroacenaphthylen-5-ylamino)ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(acenaphthen-5-ylamino)ethyl]-1,3-dimethyl-xanthine Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC3=C4C=CC=C5C4=C(CC5)C=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC3=C4C=CC=C5C4=C(CC5)C=C3

InChI

InChI=1S/C21H21N5O2/c1-24-19-18(20(27)25(2)21(24)28)26(12-23-19)11-10-22-16-9-8-14-7-6-13-4-3-5-15(16)17(13)14/h3-5,8-9,12,22H,6-7,10-11H2,1-2H3