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

Systemtic Name: 1,3-dimethyl-8-oxidanyl-9-(phenanthren-9-ylmethyl)-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 8-hydroxy-1,3-dimethyl-9-(9-phenanthrylmethyl)-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 8-hydroxy-1,3-dimethyl-9-(9-phenanthrenylmethyl)-7-propylpurino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 8-hydroxy-1,3-dimethyl-9-(phenanthren-9-ylmethyl)-7-propylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 8-hydroxy-1,3-dimethyl-9-(9-phenanthrylmethyl)-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C28H25N5O4 MolecularWeight: 495.5292

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3C)C)CC4=CC5=CC=CC=C5C6=CC=CC=C64)O

Isomeric SMILES

CCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3C)C)CC4=CC5=CC=CC=C5C6=CC=CC=C64)O

InChI

InChI=1S/C28H25N5O4/c1-4-9-21-24(34)32(15-17-14-16-10-5-6-11-18(16)20-13-8-7-12-19(17)20)27-29-23-22(33(27)25(21)35)26(36)31(3)28(37)30(23)2/h5-8,10-14,34H,4,9,15H2,1-3H3