2-butanoyl-3-(methylamino)-7-(phenylmethyl)-5-propyl-pyrazolo[3,4-d]pyrimidine-4,6-dione

Systemtic Name: 2-butanoyl-3-(methylamino)-7-(phenylmethyl)-5-propyl-pyrazolo[3,4-d]pyrimidine-4,6-dione Openeye Name: 7-benzyl-2-butanoyl-3-(methylamino)-5-propyl-pyrazolo[3,4-d]pyrimidine-4,6-dione CAS Name: 3-(methylamino)-2-(1-oxobutyl)-7-(phenylmethyl)-5-propylpyrazolo[3,4-d]pyrimidine-4,6-dione IUPAC Name: 7-benzyl-2-butanoyl-3-(methylamino)-5-propylpyrazolo[3,4-d]pyrimidine-4,6-dione Traditional Name: 7-benzyl-2-butyryl-3-(methylamino)-5-propyl-pyrazolo[3,4-d]pyrimidine-4,6-quinone Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C(=C2C(=N1)N(C(=O)N(C2=O)CCC)CC3=CC=CC=C3)NC

Isomeric SMILES

CCCC(=O)N1C(=C2C(=N1)N(C(=O)N(C2=O)CCC)CC3=CC=CC=C3)NC

InChI

InChI=1S/C20H25N5O3/c1-4-9-15(26)25-17(21-3)16-18(22-25)24(13-14-10-7-6-8-11-14)20(28)23(12-5-2)19(16)27/h6-8,10-11,21H,4-5,9,12-13H2,1-3H3