N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-4-(methylsulfanylmethyl)-N-pentyl-benzamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-4-(methylsulfanylmethyl)-N-pentyl-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-4-(methylsulfanylmethyl)-N-pentyl-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-4-[(methylthio)methyl]-N-pentylbenzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(methylsulfanylmethyl)-N-pentylbenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-amyl-4-[(methylthio)methyl]benzamide Formula: C22H32N4O3S MolecularWeight: 432.57948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)C2=CC=C(C=C2)CSC

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)C2=CC=C(C=C2)CSC

InChI

InChI=1S/C22H32N4O3S/c1-4-6-8-14-25(21(28)17-11-9-16(10-12-17)15-30-3)18-19(23)26(13-7-5-2)22(29)24-20(18)27/h9-12H,4-8,13-15,23H2,1-3H3,(H,24,27,29)