3-[1,7-dicyclopropyl-2,4-bis(oxidanylidene)pyrimido[4,5-d]pyrimidin-5-yl]sulfanylpropanenitrile

Systemtic Name: 3-[1,7-dicyclopropyl-2,4-bis(oxidanylidene)pyrimido[4,5-d]pyrimidin-5-yl]sulfanylpropanenitrile Openeye Name: 3-(1,7-dicyclopropyl-2,4-dioxo-pyrimido[4,5-d]pyrimidin-5-yl)sulfanylpropanenitrile CAS Name: 3-[(1,7-dicyclopropyl-2,4-dioxo-5-pyrimido[4,5-d]pyrimidinyl)thio]propanenitrile IUPAC Name: 3-(1,7-dicyclopropyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylpropanenitrile Traditional Name: 3-[(1,7-dicyclopropyl-2,4-diketo-pyrimido[4,5-d]pyrimidin-5-yl)thio]propionitrile Formula: C15H15N5O2S MolecularWeight: 329.3769

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=C(C(=O)NC(=O)N3C4CC4)C(=N2)SCCC#N

Isomeric SMILES

C1CC1C2=NC3=C(C(=O)NC(=O)N3C4CC4)C(=N2)SCCC#N

InChI

InChI=1S/C15H15N5O2S/c16-6-1-7-23-14-10-12(17-11(18-14)8-2-3-8)20(9-4-5-9)15(22)19-13(10)21/h8-9H,1-5,7H2,(H,19,21,22)