N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-propyl-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-propyl-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-propyl-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-propyl-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propyl-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-propyl-2-(2-pyrimidylthio)acetamide Formula: C20H22N6O3S MolecularWeight: 426.49208

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C20H22N6O3S/c1-2-11-25(15(27)13-30-19-22-9-6-10-23-19)16-17(21)26(20(29)24-18(16)28)12-14-7-4-3-5-8-14/h3-10H,2,11-13,21H2,1H3,(H,24,28,29)