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

Systemtic Name: 6-methoxy-1,3-dimethyl-9-(phenylmethyl)-7-propyl-purino[7,8-a]pyrimidine-2,4,8-trione Openeye Name: 9-benzyl-6-methoxy-1,3-dimethyl-7-propyl-purino[7,8-a]pyrimidine-2,4,8-trione CAS Name: 6-methoxy-1,3-dimethyl-9-(phenylmethyl)-7-propylpurino[7,8-a]pyrimidine-2,4,8-trione IUPAC Name: 9-benzyl-6-methoxy-1,3-dimethyl-7-propylpurino[7,8-a]pyrimidine-2,4,8-trione Traditional Name: 9-benzyl-6-methoxy-1,3-dimethyl-7-propyl-purino[7,8-a]pyrimidine-2,4,8-trione Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N2C3=C(N=C2N(C1=O)CC4=CC=CC=C4)N(C(=O)N(C3=O)C)C)OC

Isomeric SMILES

CCCC1=C(N2C3=C(N=C2N(C1=O)CC4=CC=CC=C4)N(C(=O)N(C3=O)C)C)OC

InChI

InChI=1S/C21H23N5O4/c1-5-9-14-17(27)25(12-13-10-7-6-8-11-13)20-22-16-15(26(20)19(14)30-4)18(28)24(3)21(29)23(16)2/h6-8,10-11H,5,9,12H2,1-4H3