2-[[3-methyl-2,4-bis(oxidanylidene)-7-propan-2-yl-1-propyl-pyrimido[4,5-d]pyrimidin-5-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[3-methyl-2,4-bis(oxidanylidene)-7-propan-2-yl-1-propyl-pyrimido[4,5-d]pyrimidin-5-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(7-isopropyl-3-methyl-2,4-dioxo-1-propyl-pyrimido[4,5-d]pyrimidin-5-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(3-methyl-2,4-dioxo-7-propan-2-yl-1-propyl-5-pyrimido[4,5-d]pyrimidinyl)thio]methyl]benzonitrile IUPAC Name: 2-[(3-methyl-2,4-dioxo-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidin-5-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(7-isopropyl-2,4-diketo-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidin-5-yl)thio]methyl]benzonitrile Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)C(C)C)SCC3=CC=CC=C3C#N)C(=O)N(C1=O)C

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)C(C)C)SCC3=CC=CC=C3C#N)C(=O)N(C1=O)C

InChI

InChI=1S/C21H23N5O2S/c1-5-10-26-18-16(20(27)25(4)21(26)28)19(24-17(23-18)13(2)3)29-12-15-9-7-6-8-14(15)11-22/h6-9,13H,5,10,12H2,1-4H3