1,3-diethyl-8-oxidanyl-9-(phenylmethyl)-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione

Systemtic Name: 1,3-diethyl-8-oxidanyl-9-(phenylmethyl)-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 9-benzyl-1,3-diethyl-8-hydroxy-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 1,3-diethyl-8-hydroxy-9-(phenylmethyl)-7-propylpurino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 9-benzyl-1,3-diethyl-8-hydroxy-7-propylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 9-benzyl-1,3-diethyl-8-hydroxy-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3CC)CC)CC4=CC=CC=C4)O

Isomeric SMILES

CCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3CC)CC)CC4=CC=CC=C4)O

InChI

InChI=1S/C22H25N5O4/c1-4-10-15-18(28)26(13-14-11-8-7-9-12-14)21-23-17-16(27(21)19(15)29)20(30)25(6-3)22(31)24(17)5-2/h7-9,11-12,28H,4-6,10,13H2,1-3H3