1,7-dicyclopropyl-4-oxidanylidene-5-[(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]sulfanyl-pyrimido[4,5-d]pyrimidin-2-olate

Systemtic Name: 1,7-dicyclopropyl-4-oxidanylidene-5-[(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]sulfanyl-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 5-[(1S)-2-(allylamino)-1-methyl-2-oxo-ethyl]sulfanyl-1,7-dicyclopropyl-4-oxo-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 1,7-dicyclopropyl-4-oxo-5-[[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl]thio]-2-pyrimido[4,5-d]pyrimidinolate IUPAC Name: 1,7-dicyclopropyl-4-oxo-5-[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl]sulfanylpyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 5-[[(1S)-2-(allylamino)-2-keto-1-methyl-ethyl]thio]-1,7-dicyclopropyl-4-keto-pyrimido[4,5-d]pyrimidin-2-olate Formula: C18H20N5O3S- MolecularWeight: 386.4481

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)SC1=NC(=NC2=C1C(=O)N=C(N2C3CC3)[O-])C4CC4

Isomeric SMILES

C[C@@H](C(=O)NCC=C)SC1=NC(=NC2=C1C(=O)N=C(N2C3CC3)[O-])C4CC4

InChI

InChI=1S/C18H21N5O3S/c1-3-8-19-15(24)9(2)27-17-12-14(20-13(21-17)10-4-5-10)23(11-6-7-11)18(26)22-16(12)25/h3,9-11H,1,4-8H2,2H3,(H,19,24)(H,22,25,26)/p-1/t9-/m0/s1