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

Systemtic Name: 1,3-dimethyl-7-(phenylmethyl)-8-(3-propan-2-ylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-benzyl-8-(3-isopropylpiperazin-1-yl)-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(phenylmethyl)-8-(3-propan-2-yl-1-piperazinyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-(3-propan-2-ylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-benzyl-8-(3-isopropylpiperazino)-1,3-dimethyl-xanthine Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CN(CCN1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C)C1CN(CCN1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H28N6O2/c1-14(2)16-13-26(11-10-22-16)20-23-18-17(19(28)25(4)21(29)24(18)3)27(20)12-15-8-6-5-7-9-15/h5-9,14,16,22H,10-13H2,1-4H3