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

Systemtic Name: 7-butan-2-yl-1,3-dibutyl-8-oxidanyl-9-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 9-benzyl-1,3-dibutyl-8-hydroxy-7-sec-butyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 7-butan-2-yl-1,3-dibutyl-8-hydroxy-9-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 9-benzyl-7-butan-2-yl-1,3-dibutyl-8-hydroxypurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 9-benzyl-1,3-dibutyl-8-hydroxy-7-sec-butyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C27H35N5O4 MolecularWeight: 493.5979

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N3C(=O)C(=C(N(C3=N2)CC4=CC=CC=C4)O)C(C)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N3C(=O)C(=C(N(C3=N2)CC4=CC=CC=C4)O)C(C)CC

InChI

InChI=1S/C27H35N5O4/c1-5-8-15-29-22-21(25(35)30(27(29)36)16-9-6-2)32-24(34)20(18(4)7-3)23(33)31(26(32)28-22)17-19-13-11-10-12-14-19/h10-14,18,33H,5-9,15-17H2,1-4H3