5-methyl-3-[(phenylmethyl)amino]-1,2-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione

Systemtic Name: 5-methyl-3-[(phenylmethyl)amino]-1,2-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione Openeye Name: 3-(benzylamino)-5-methyl-1,2-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione CAS Name: 5-methyl-3-[(phenylmethyl)amino]-1,2-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione IUPAC Name: 3-(benzylamino)-5-methyl-1,2-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione Traditional Name: 3-(benzylamino)-5-methyl-1,2-dihydropyrazolo[3,4-d]pyrimidine-4,6-quinone Formula: C13H13N5O2 MolecularWeight: 271.27462

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(NNC2=NC1=O)NCC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C2=C(NNC2=NC1=O)NCC3=CC=CC=C3

InChI

InChI=1S/C13H13N5O2/c1-18-12(19)9-10(16-17-11(9)15-13(18)20)14-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H3,14,15,16,17,20)