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

Systemtic Name: 6-azanyl-5-[[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-(phenylmethyl)amino]-1-butyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[[2-(azepan-1-yl)-2-oxo-ethyl]-benzyl-amino]-1-butyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[[2-(1-azepanyl)-2-oxoethyl]-(phenylmethyl)amino]-1-butylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[[2-(azepan-1-yl)-2-oxoethyl]-benzylamino]-1-butylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[[2-(azepan-1-yl)-2-keto-ethyl]-benzyl-amino]-1-butyl-pyrimidine-2,4-quinone Formula: C23H33N5O3 MolecularWeight: 427.53982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)CC(=O)N3CCCCCC3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)CC(=O)N3CCCCCC3)N

InChI

InChI=1S/C23H33N5O3/c1-2-3-15-28-21(24)20(22(30)25-23(28)31)27(16-18-11-7-6-8-12-18)17-19(29)26-13-9-4-5-10-14-26/h6-8,11-12H,2-5,9-10,13-17,24H2,1H3,(H,25,30,31)