6-azanyl-5-[2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylethanoyl]-3-methyl-1-propyl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylethanoyl]-3-methyl-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]acetyl]-3-methyl-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-1-oxoethyl]-3-methyl-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]acetyl]-3-methyl-1-propyl-pyrimidine-2,4-quinone Formula: C21H29N5O5S2 MolecularWeight: 495.61546

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3)N

Isomeric SMILES

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3)N

InChI

InChI=1S/C21H29N5O5S2/c1-3-10-26-19(22)18(20(28)24(2)21(26)29)16(27)14-32-17-9-8-15(13-23-17)33(30,31)25-11-6-4-5-7-12-25/h8-9,13H,3-7,10-12,14,22H2,1-2H3