6-azanyl-5-[2-[[2-(azepan-1-yl)phenyl]amino]ethanoyl]-3-methyl-1-propyl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-[[2-(azepan-1-yl)phenyl]amino]ethanoyl]-3-methyl-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-[2-(azepan-1-yl)anilino]acetyl]-3-methyl-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[2-(1-azepanyl)anilino]-1-oxoethyl]-3-methyl-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-[2-(azepan-1-yl)anilino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[2-(azepan-1-yl)anilino]acetyl]-3-methyl-1-propyl-pyrimidine-2,4-quinone Formula: C22H31N5O3 MolecularWeight: 413.51324

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)CNC2=CC=CC=C2N3CCCCCC3)N

Isomeric SMILES

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)CNC2=CC=CC=C2N3CCCCCC3)N

InChI

InChI=1S/C22H31N5O3/c1-3-12-27-20(23)19(21(29)25(2)22(27)30)18(28)15-24-16-10-6-7-11-17(16)26-13-8-4-5-9-14-26/h6-7,10-11,24H,3-5,8-9,12-15,23H2,1-2H3