(1R,4S)-4-(1H-indol-3-ylmethyl)-1-(methylsulfinylmethyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione

Systemtic Name: (1R,4S)-4-(1H-indol-3-ylmethyl)-1-(methylsulfinylmethyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione Openeye Name: (1R,4S)-4-(1H-indol-3-ylmethyl)-1-(methylsulfinylmethyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione CAS Name: (1R,4S)-4-(1H-indol-3-ylmethyl)-1-(methylsulfinylmethyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione IUPAC Name: (1R,4S)-4-(1H-indol-3-ylmethyl)-1-(methylsulfinylmethyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione Traditional Name: (1R,4S)-4-(1H-indol-3-ylmethyl)-1-(methylsulfinylmethyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-quinone Formula: C22H20N4O3S MolecularWeight: 420.4842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)CC1C2=NC3=CC=CC=C3C(=O)N2C(C(=O)N1)CC4=CNC5=CC=CC=C54

Isomeric SMILES

CS(=O)C[C@H]1C2=NC3=CC=CC=C3C(=O)N2[C@H](C(=O)N1)CC4=CNC5=CC=CC=C54

InChI

InChI=1S/C22H20N4O3S/c1-30(29)12-18-20-24-17-9-5-3-7-15(17)22(28)26(20)19(21(27)25-18)10-13-11-23-16-8-4-2-6-14(13)16/h2-9,11,18-19,23H,10,12H2,1H3,(H,25,27)/t18-,19-,30?/m0/s1