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

Systemtic Name: 6-azanyl-5-[2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]ethanoyl]-3-methyl-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-[3-(azepan-1-ylsulfonyl)anilino]acetyl]-3-methyl-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[3-(1-azepanylsulfonyl)anilino]-1-oxoethyl]-3-methyl-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-[3-(azepan-1-ylsulfonyl)anilino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[3-(azepan-1-ylsulfonyl)anilino]acetyl]-3-methyl-1-propyl-pyrimidine-2,4-quinone Formula: C22H31N5O5S MolecularWeight: 477.57704

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)CNC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)N

Isomeric SMILES

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)CNC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)N

InChI

InChI=1S/C22H31N5O5S/c1-3-11-27-20(23)19(21(29)25(2)22(27)30)18(28)15-24-16-9-8-10-17(14-16)33(31,32)26-12-6-4-5-7-13-26/h8-10,14,24H,3-7,11-13,15,23H2,1-2H3