8-[cyclopropyl-(4-methoxyphenyl)methyl]-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-[cyclopropyl-(4-methoxyphenyl)methyl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[cyclopropyl-(4-methoxyphenyl)methyl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[cyclopropyl-(4-methoxyphenyl)methyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[cyclopropyl-(4-methoxyphenyl)methyl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[cyclopropyl-(4-methoxyphenyl)methyl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C(C3CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C(C3CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H28N4O3/c1-4-12-25-20-18(21(27)26(13-5-2)22(25)28)23-19(24-20)17(14-6-7-14)15-8-10-16(29-3)11-9-15/h8-11,14,17H,4-7,12-13H2,1-3H3,(H,23,24)