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

Systemtic Name: 5-butyl-3-(methylamino)-7-(phenylmethyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione Openeye Name: 7-benzyl-5-butyl-3-(methylamino)-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione CAS Name: 5-butyl-3-(methylamino)-7-(phenylmethyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione IUPAC Name: 7-benzyl-5-butyl-3-(methylamino)-2H-pyrazolo[3,4-d]pyrimidine-4,6-dione Traditional Name: 7-benzyl-5-butyl-3-(methylamino)-2H-pyrazolo[3,4-d]pyrimidine-4,6-quinone Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(NN=C2N(C1=O)CC3=CC=CC=C3)NC

Isomeric SMILES

CCCCN1C(=O)C2=C(NN=C2N(C1=O)CC3=CC=CC=C3)NC

InChI

InChI=1S/C17H21N5O2/c1-3-4-10-21-16(23)13-14(18-2)19-20-15(13)22(17(21)24)11-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H2,18,19,20)