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

Systemtic Name: 3-(cyclopropylmethyl)-1-methyl-8-oxidanyl-9-(phenylmethyl)-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 9-benzyl-3-(cyclopropylmethyl)-8-hydroxy-1-methyl-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 3-(cyclopropylmethyl)-8-hydroxy-1-methyl-9-(phenylmethyl)-7-propylpurino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 9-benzyl-3-(cyclopropylmethyl)-8-hydroxy-1-methyl-7-propylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 9-benzyl-3-(cyclopropylmethyl)-8-hydroxy-1-methyl-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3C)CC4CC4)CC5=CC=CC=C5)O

Isomeric SMILES

CCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3C)CC4CC4)CC5=CC=CC=C5)O

InChI

InChI=1S/C23H25N5O4/c1-3-7-16-19(29)26(12-14-8-5-4-6-9-14)22-24-18-17(28(22)20(16)30)21(31)27(13-15-10-11-15)23(32)25(18)2/h4-6,8-9,15,29H,3,7,10-13H2,1-2H3