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

Systemtic Name: 1,7-dicyclopropyl-4-oxidanylidene-5-[(2S)-1-oxidanylidene-1-(phenylcarbamoylamino)propan-2-yl]sulfanyl-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 1,7-dicyclopropyl-5-[(1S)-1-methyl-2-oxo-2-(phenylcarbamoylamino)ethyl]sulfanyl-4-oxo-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 5-[[(2S)-1-[[anilino(oxo)methyl]amino]-1-oxopropan-2-yl]thio]-1,7-dicyclopropyl-4-oxo-2-pyrimido[4,5-d]pyrimidinolate IUPAC Name: 1,7-dicyclopropyl-4-oxo-5-[(2S)-1-oxo-1-(phenylcarbamoylamino)propan-2-yl]sulfanylpyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 1,7-dicyclopropyl-4-keto-5-[[(1S)-2-keto-1-methyl-2-(phenylcarbamoylamino)ethyl]thio]pyrimido[4,5-d]pyrimidin-2-olate Formula: C22H21N6O4S- MolecularWeight: 465.50494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC=CC=C1)SC2=NC(=NC3=C2C(=O)N=C(N3C4CC4)[O-])C5CC5

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC1=CC=CC=C1)SC2=NC(=NC3=C2C(=O)N=C(N3C4CC4)[O-])C5CC5

InChI

InChI=1S/C22H22N6O4S/c1-11(18(29)26-21(31)23-13-5-3-2-4-6-13)33-20-15-17(24-16(25-20)12-7-8-12)28(14-9-10-14)22(32)27-19(15)30/h2-6,11-12,14H,7-10H2,1H3,(H,27,30,32)(H2,23,26,29,31)/p-1/t11-/m0/s1