8-(3-azanylpyrrolidin-1-yl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(3-azanylpyrrolidin-1-yl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 8-(3-aminopyrrolidin-1-yl)-7-benzyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(3-amino-1-pyrrolidinyl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 8-(3-aminopyrrolidin-1-yl)-7-benzyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(3-aminopyrrolidino)-7-benzyl-1,3-dimethyl-xanthine Formula: C18H22N6O2 MolecularWeight: 354.40628

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC(C3)N)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC(C3)N)CC4=CC=CC=C4

InChI

InChI=1S/C18H22N6O2/c1-21-15-14(16(25)22(2)18(21)26)24(10-12-6-4-3-5-7-12)17(20-15)23-9-8-13(19)11-23/h3-7,13H,8-11,19H2,1-2H3