N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-4-(azepan-1-ylsulfonyl)-N-methyl-benzamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-4-(azepan-1-ylsulfonyl)-N-methyl-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-4-(azepan-1-ylsulfonyl)-N-methyl-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-4-(1-azepanylsulfonyl)-N-methylbenzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(azepan-1-ylsulfonyl)-N-methylbenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-4-(azepan-1-ylsulfonyl)-N-methyl-benzamide Formula: C22H31N5O5S MolecularWeight: 477.57704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O5S/c1-3-4-15-27-19(23)18(20(28)24-22(27)30)25(2)21(29)16-9-11-17(12-10-16)33(31,32)26-13-7-5-6-8-14-26/h9-12H,3-8,13-15,23H2,1-2H3,(H,24,28,30)