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

Systemtic Name: 6-azanyl-5-[2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylethanoyl]-1-cyclopropyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]acetyl]-1-cyclopropyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-1-oxoethyl]-1-cyclopropylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylacetyl]-1-cyclopropylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]acetyl]-1-cyclopropyl-pyrimidine-2,4-quinone Formula: C20H25N5O5S2 MolecularWeight: 479.573

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N

InChI

InChI=1S/C20H25N5O5S2/c21-18-17(19(27)23-20(28)25(18)13-5-6-13)15(26)12-31-16-8-7-14(11-22-16)32(29,30)24-9-3-1-2-4-10-24/h7-8,11,13H,1-6,9-10,12,21H2,(H,23,27,28)