7-(2-methylpropyl)-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-(2-methylpropyl)-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-isobutyl-1-(2-morpholino-2-oxo-ethyl)purine-2,6-dione CAS Name: 7-(2-methylpropyl)-1-[2-(4-morpholinyl)-2-oxoethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(2-methylpropyl)-1-(2-morpholin-4-yl-2-oxoethyl)purine-2,6-dione Traditional Name: 3-benzyl-7-isobutyl-1-(2-keto-2-morpholino-ethyl)xanthine Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4CCOCC4

Isomeric SMILES

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4CCOCC4

InChI

InChI=1S/C22H27N5O4/c1-16(2)12-25-15-23-20-19(25)21(29)27(14-18(28)24-8-10-31-11-9-24)22(30)26(20)13-17-6-4-3-5-7-17/h3-7,15-16H,8-14H2,1-2H3