2-[2-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-2-oxo-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-2-oxoethyl]thio]-4,5,6-trimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carbonitrile Traditional Name: 2-[[2-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-2-keto-ethyl]thio]-4,5,6-trimethyl-nicotinonitrile Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(=O)CSC2=NC(=C(C(=C2C#N)C)C)C)N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(=O)CSC2=NC(=C(C(=C2C#N)C)C)C)N

InChI

InChI=1S/C18H21N5O3S/c1-5-6-23-15(20)14(16(25)22-18(23)26)13(24)8-27-17-12(7-19)10(3)9(2)11(4)21-17/h5-6,8,20H2,1-4H3,(H,22,25,26)