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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3CCCC)CCCC)CC4=CC=CC=C4)O

Isomeric SMILES

CCCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3CCCC)CCCC)CC4=CC=CC=C4)O

InChI

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