1,3-dimethyl-7-(phenylmethyl)-8-(4-propanoylpiperazin-1-yl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(phenylmethyl)-8-(4-propanoylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-benzyl-1,3-dimethyl-8-(4-propanoylpiperazin-1-yl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-[4-(1-oxopropyl)-1-piperazinyl]-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-(4-propanoylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-(4-propionylpiperazino)xanthine Formula: C21H26N6O3 MolecularWeight: 410.46954

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H26N6O3/c1-4-16(28)25-10-12-26(13-11-25)20-22-18-17(19(29)24(3)21(30)23(18)2)27(20)14-15-8-6-5-7-9-15/h5-9H,4,10-14H2,1-3H3