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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-chloranyl-5-methylsulfanyl-N-pentyl-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-chloro-5-methylsulfanyl-N-pentyl-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-chloro-5-(methylthio)-N-pentylbenzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-chloro-5-methylsulfanyl-N-pentylbenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-amyl-2-chloro-5-(methylthio)benzamide Formula: C21H29ClN4O3S MolecularWeight: 452.99796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29ClN4O3S/c1-4-6-8-12-25(20(28)15-13-14(30-3)9-10-16(15)22)17-18(23)26(11-7-5-2)21(29)24-19(17)27/h9-10,13H,4-8,11-12,23H2,1-3H3,(H,24,27,29)