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

Systemtic Name: 3-azanyl-2-(2-oxidanylidenehexyl)-7-(phenylmethyl)-5-propyl-pyrazolo[3,4-d]pyrimidine-4,6-dione Openeye Name: 3-amino-7-benzyl-2-(2-oxohexyl)-5-propyl-pyrazolo[3,4-d]pyrimidine-4,6-dione CAS Name: 3-amino-2-(2-oxohexyl)-7-(phenylmethyl)-5-propylpyrazolo[3,4-d]pyrimidine-4,6-dione IUPAC Name: 3-amino-7-benzyl-2-(2-oxohexyl)-5-propylpyrazolo[3,4-d]pyrimidine-4,6-dione Traditional Name: 3-amino-7-benzyl-2-(2-ketohexyl)-5-propyl-pyrazolo[3,4-d]pyrimidine-4,6-quinone Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)CN1C(=C2C(=N1)N(C(=O)N(C2=O)CCC)CC3=CC=CC=C3)N

Isomeric SMILES

CCCCC(=O)CN1C(=C2C(=N1)N(C(=O)N(C2=O)CCC)CC3=CC=CC=C3)N

InChI

InChI=1S/C21H27N5O3/c1-3-5-11-16(27)14-26-18(22)17-19(23-26)25(13-15-9-7-6-8-10-15)21(29)24(12-4-2)20(17)28/h6-10H,3-5,11-14,22H2,1-2H3