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

Systemtic Name: 5-butyl-2-methyl-3-(methylamino)-7-(phenylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-dione Openeye Name: 7-benzyl-5-butyl-2-methyl-3-(methylamino)pyrazolo[3,4-d]pyrimidine-4,6-dione CAS Name: 5-butyl-2-methyl-3-(methylamino)-7-(phenylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-dione IUPAC Name: 7-benzyl-5-butyl-2-methyl-3-(methylamino)pyrazolo[3,4-d]pyrimidine-4,6-dione Traditional Name: 7-benzyl-5-butyl-2-methyl-3-(methylamino)pyrazolo[3,4-d]pyrimidine-4,6-quinone Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O2/c1-4-5-11-22-17(24)14-15(19-2)21(3)20-16(14)23(18(22)25)12-13-9-7-6-8-10-13/h6-10,19H,4-5,11-12H2,1-3H3