3-methyl-1-(phenylmethyl)-7-propan-2-yl-8-pyrrolidin-1-yl-purine-2,6-dione

Systemtic Name: 3-methyl-1-(phenylmethyl)-7-propan-2-yl-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 1-benzyl-7-isopropyl-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 3-methyl-1-(phenylmethyl)-7-propan-2-yl-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 1-benzyl-3-methyl-7-propan-2-yl-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 1-benzyl-7-isopropyl-3-methyl-8-pyrrolidino-xanthine Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1N3CCCC3)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

Isomeric SMILES

CC(C)N1C2=C(N=C1N3CCCC3)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C20H25N5O2/c1-14(2)25-16-17(21-19(25)23-11-7-8-12-23)22(3)20(27)24(18(16)26)13-15-9-5-4-6-10-15/h4-6,9-10,14H,7-8,11-13H2,1-3H3