1-[7-(dipropylamino)-4-methyl-4-oxidanyl-hept-5-ynyl]-3-methyl-7H-purine-2,6-dione

Systemtic Name: 1-[7-(dipropylamino)-4-methyl-4-oxidanyl-hept-5-ynyl]-3-methyl-7H-purine-2,6-dione Openeye Name: 1-[7-(dipropylamino)-4-hydroxy-4-methyl-hept-5-ynyl]-3-methyl-7H-purine-2,6-dione CAS Name: 1-[7-(dipropylamino)-4-hydroxy-4-methylhept-5-ynyl]-3-methyl-7H-purine-2,6-dione IUPAC Name: 1-[7-(dipropylamino)-4-hydroxy-4-methylhept-5-ynyl]-3-methyl-7H-purine-2,6-dione Traditional Name: 1-[7-(dipropylamino)-4-hydroxy-4-methyl-hept-5-ynyl]-3-methyl-7H-purine-2,6-quinone Formula: C20H31N5O3 MolecularWeight: 389.49184

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)CC#CC(C)(CCCN1C(=O)C2=C(N=CN2)N(C1=O)C)O

Isomeric SMILES

CCCN(CCC)CC#CC(C)(CCCN1C(=O)C2=C(N=CN2)N(C1=O)C)O

InChI

InChI=1S/C20H31N5O3/c1-5-11-24(12-6-2)13-7-9-20(3,28)10-8-14-25-18(26)16-17(22-15-21-16)23(4)19(25)27/h15,28H,5-6,8,10-14H2,1-4H3,(H,21,22)