3-(azepan-1-yl)-1-[(3-bromophenyl)methyl]-4-methyl-pyrazolo[4,3-d]pyrimidine-5,7-dione

Systemtic Name: 3-(azepan-1-yl)-1-[(3-bromophenyl)methyl]-4-methyl-pyrazolo[4,3-d]pyrimidine-5,7-dione Openeye Name: 3-(azepan-1-yl)-1-[(3-bromophenyl)methyl]-4-methyl-pyrazolo[4,3-d]pyrimidine-5,7-dione CAS Name: 3-(1-azepanyl)-1-[(3-bromophenyl)methyl]-4-methylpyrazolo[4,3-d]pyrimidine-5,7-dione IUPAC Name: 3-(azepan-1-yl)-1-[(3-bromophenyl)methyl]-4-methylpyrazolo[4,3-d]pyrimidine-5,7-dione Traditional Name: 3-(azepan-1-yl)-1-(3-bromobenzyl)-4-methyl-pyrazolo[4,3-d]pyrimidine-5,7-quinone Formula: C19H22BrN5O2 MolecularWeight: 432.31428

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(N=C2N3CCCCCC3)CC4=CC(=CC=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(N=C2N3CCCCCC3)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C19H22BrN5O2/c1-23-15-16(18(26)21-19(23)27)25(12-13-7-6-8-14(20)11-13)22-17(15)24-9-4-2-3-5-10-24/h6-8,11H,2-5,9-10,12H2,1H3,(H,21,26,27)