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

Systemtic Name: 1,7-dicyclopropyl-5-[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 1,7-dicyclopropyl-5-[(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 1,7-dicyclopropyl-5-[[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]thio]-4-oxo-2-pyrimido[4,5-d]pyrimidinolate IUPAC Name: 1,7-dicyclopropyl-5-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]sulfanyl-4-oxopyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 1,7-dicyclopropyl-5-[[(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl]thio]-4-keto-pyrimido[4,5-d]pyrimidin-2-olate Formula: C19H24N5O3S- MolecularWeight: 402.49056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O3S/c1-9(2)8-20-16(25)10(3)28-18-13-15(21-14(22-18)11-4-5-11)24(12-6-7-12)19(27)23-17(13)26/h9-12H,4-8H2,1-3H3,(H,20,25)(H,23,26,27)/p-1/t10-/m0/s1