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

Systemtic Name: 3-(azepan-1-yl)-4-methyl-1-(3-phenylpropyl)pyrazolo[4,3-d]pyrimidine-5,7-dione Openeye Name: 3-(azepan-1-yl)-4-methyl-1-(3-phenylpropyl)pyrazolo[4,3-d]pyrimidine-5,7-dione CAS Name: 3-(1-azepanyl)-4-methyl-1-(3-phenylpropyl)pyrazolo[4,3-d]pyrimidine-5,7-dione IUPAC Name: 3-(azepan-1-yl)-4-methyl-1-(3-phenylpropyl)pyrazolo[4,3-d]pyrimidine-5,7-dione Traditional Name: 3-(azepan-1-yl)-4-methyl-1-(3-phenylpropyl)pyrazolo[4,3-d]pyrimidine-5,7-quinone Formula: C21H27N5O2 MolecularWeight: 381.47138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(N=C2N3CCCCCC3)CCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(N=C2N3CCCCCC3)CCCC4=CC=CC=C4

InChI

InChI=1S/C21H27N5O2/c1-24-17-18(20(27)22-21(24)28)26(15-9-12-16-10-5-4-6-11-16)23-19(17)25-13-7-2-3-8-14-25/h4-6,10-11H,2-3,7-9,12-15H2,1H3,(H,22,27,28)