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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-butyl-2-chloranyl-5-methylsulfanyl-benzamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-2-chloro-5-methylsulfanyl-benzamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-butyl-2-chloro-5-(methylthio)benzamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-chloro-5-methylsulfanylbenzamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-2-chloro-5-(methylthio)benzamide Formula: C23H25ClN4O3S MolecularWeight: 472.9876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=C(C=CC(=C3)SC)Cl

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=C(C=CC(=C3)SC)Cl

InChI

InChI=1S/C23H25ClN4O3S/c1-3-4-12-27(22(30)17-13-16(32-2)10-11-18(17)24)19-20(25)28(23(31)26-21(19)29)14-15-8-6-5-7-9-15/h5-11,13H,3-4,12,14,25H2,1-2H3,(H,26,29,31)