6-azanyl-5-[butyl-[2-oxidanylidene-2-(4-phenethylpiperidin-1-yl)ethyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[butyl-[2-oxidanylidene-2-(4-phenethylpiperidin-1-yl)ethyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione Openeye Name: 6-amino-5-[butyl-[2-oxo-2-(4-phenethyl-1-piperidyl)ethyl]amino]-1-isobutyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[butyl-[2-oxo-2-(4-phenethyl-1-piperidinyl)ethyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-5-[butyl-[2-oxo-2-(4-phenethylpiperidin-1-yl)ethyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione Traditional Name: 6-amino-5-[butyl-[2-keto-2-(4-phenethylpiperidino)ethyl]amino]-1-isobutyl-pyrimidine-2,4-quinone Formula: C27H41N5O3 MolecularWeight: 483.64614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)N1CCC(CC1)CCC2=CC=CC=C2)C3=C(N(C(=O)NC3=O)CC(C)C)N

Isomeric SMILES

CCCCN(CC(=O)N1CCC(CC1)CCC2=CC=CC=C2)C3=C(N(C(=O)NC3=O)CC(C)C)N

InChI

InChI=1S/C27H41N5O3/c1-4-5-15-31(24-25(28)32(18-20(2)3)27(35)29-26(24)34)19-23(33)30-16-13-22(14-17-30)12-11-21-9-7-6-8-10-21/h6-10,20,22H,4-5,11-19,28H2,1-3H3,(H,29,34,35)