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

Systemtic Name: 1,3,7-tributyl-6-methoxy-9-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,8-trione Openeye Name: 9-benzyl-1,3,7-tributyl-6-methoxy-purino[7,8-a]pyrimidine-2,4,8-trione CAS Name: 1,3,7-tributyl-6-methoxy-9-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,8-trione IUPAC Name: 9-benzyl-1,3,7-tributyl-6-methoxypurino[7,8-a]pyrimidine-2,4,8-trione Traditional Name: 9-benzyl-1,3,7-tributyl-6-methoxy-purino[7,8-a]pyrimidine-2,4,8-trione Formula: C28H37N5O4 MolecularWeight: 507.62448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N2C3=C(N=C2N(C1=O)CC4=CC=CC=C4)N(C(=O)N(C3=O)CCCC)CCCC)OC

Isomeric SMILES

CCCCC1=C(N2C3=C(N=C2N(C1=O)CC4=CC=CC=C4)N(C(=O)N(C3=O)CCCC)CCCC)OC

InChI

InChI=1S/C28H37N5O4/c1-5-8-16-21-24(34)32(19-20-14-12-11-13-15-20)27-29-23-22(33(27)26(21)37-4)25(35)31(18-10-7-3)28(36)30(23)17-9-6-2/h11-15H,5-10,16-19H2,1-4H3