3-bromanyl-4-methyl-1-(phenylmethyl)-2,3,3a,7a-tetrahydropyrazolo[4,3-d]pyrimidine-5,7-dione

Systemtic Name: 3-bromanyl-4-methyl-1-(phenylmethyl)-2,3,3a,7a-tetrahydropyrazolo[4,3-d]pyrimidine-5,7-dione Openeye Name: 1-benzyl-3-bromo-4-methyl-2,3,3a,7a-tetrahydropyrazolo[4,3-d]pyrimidine-5,7-dione CAS Name: 3-bromo-4-methyl-1-(phenylmethyl)-2,3,3a,7a-tetrahydropyrazolo[4,3-d]pyrimidine-5,7-dione IUPAC Name: 1-benzyl-3-bromo-4-methyl-2,3,3a,7a-tetrahydropyrazolo[4,3-d]pyrimidine-5,7-dione Traditional Name: 1-benzyl-3-bromo-4-methyl-2,3,3a,7a-tetrahydropyrazolo[4,3-d]pyrimidine-5,7-quinone Formula: C13H15BrN4O2 MolecularWeight: 339.1878

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2C(C(=O)NC1=O)N(NC2Br)CC3=CC=CC=C3

Isomeric SMILES

CN1C2C(C(=O)NC1=O)N(NC2Br)CC3=CC=CC=C3

InChI

InChI=1S/C13H15BrN4O2/c1-17-9-10(12(19)15-13(17)20)18(16-11(9)14)7-8-5-3-2-4-6-8/h2-6,9-11,16H,7H2,1H3,(H,15,19,20)