N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-methyl-4-(3-methylpiperidin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-methyl-4-(3-methylpiperidin-1-yl)sulfonyl-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-methyl-4-[(3-methyl-1-piperidyl)sulfonyl]benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-methyl-4-[(3-methyl-1-piperidinyl)sulfonyl]benzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-4-(3-methylpiperidin-1-yl)sulfonylbenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-methyl-4-(3-methylpiperidino)sulfonyl-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)N3CCCC(C3)C)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3)C)N

InChI

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