N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-2-butylsulfanyl-N-(furan-2-ylmethyl)ethanamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-2-butylsulfanyl-N-(furan-2-ylmethyl)ethanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-2-butylsulfanyl-N-(2-furylmethyl)acetamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-2-(butylthio)-N-(2-furanylmethyl)acetamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-butylsulfanyl-N-(furan-2-ylmethyl)acetamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-2-(butylthio)-N-(2-furfuryl)acetamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(=O)N(CC1=CC=CO1)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N

Isomeric SMILES

CCCCSCC(=O)N(CC1=CC=CO1)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N

InChI

InChI=1S/C22H26N4O4S/c1-2-3-12-31-15-18(27)25(14-17-10-7-11-30-17)19-20(23)26(22(29)24-21(19)28)13-16-8-5-4-6-9-16/h4-11H,2-3,12-15,23H2,1H3,(H,24,28,29)