Molecule ID: 11339719

IUPAC Name: (1R,2'S,3'aS,12S,14S)-2',12-dimethylspiro[13-oxa-2,10,17-triazatetracyclo[10.3.2.02,11.04,9]heptadeca-4,6,8,10-tetraene-14,4'-3,3a-dihydro-2H-imidazo[1,2-a]indole]-1',3,16-trione

Description: The molecule is a fumiquinazoline obtained by oxidative spirocyclisation of fumiquinazoline A. It is a fumiquinazoline, an imidazoindole, an oxaspiro compound, an azaspiro compound and an organic heteroheptacyclic compound.

SMILES: C[C@@H]1N[C@H]2N(C1=O)c1ccccc1[C@@]21C[C@@H]2C(O)=N[C@@](C)(O1)c1nc3ccccc3c(=O)n12

SELFIES: [C][C@@H1][N][C@H1][N][Branch1][Branch1][C][Ring1][Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@][Ring1][O][C][C@@H1][C][Branch1][C][O][=N][C@@][Branch1][C][C][Branch1][Ring2][O][Ring1][=Branch2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][Ring2][Ring1][C]

InChI: InChI=1S/C24H21N5O4/c1-12-19(31)28-16-10-6-4-8-14(16)24(22(28)25-12)11-17-18(30)27-23(2,33-24)21-26-15-9-5-3-7-13(15)20(32)29(17)21/h3-10,12,17,22,25H,11H2,1-2H3,(H,27,30)/t12-,17+,22-,23-,24-/m0/s1

Molecular Properties:
- Polar Surface Area: 103.0 Ų
- LogP: 0.8