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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N3C(=O)C(=C(N(C3=N2)CC4=CC=CC=C4)O)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N3C(=O)C(=C(N(C3=N2)CC4=CC=CC=C4)O)C

InChI

InChI=1S/C22H25N5O4/c1-4-11-24-17-16(20(30)25(12-5-2)22(24)31)27-19(29)14(3)18(28)26(21(27)23-17)13-15-9-7-6-8-10-15/h6-10,28H,4-5,11-13H2,1-3H3