(1S)-3-azanyl-8,9-dimethoxy-1-phenyl-4,5-dihydro-1H-[1,3,5]triazino[1,2-a]quinazolin-11-ium-6-one

Systemtic Name: (1S)-3-azanyl-8,9-dimethoxy-1-phenyl-4,5-dihydro-1H-[1,3,5]triazino[1,2-a]quinazolin-11-ium-6-one Openeye Name: (1S)-3-amino-8,9-dimethoxy-1-phenyl-4,5-dihydro-1H-[1,3,5]triazino[1,2-a]quinazolin-11-ium-6-one CAS Name: (1S)-3-amino-8,9-dimethoxy-1-phenyl-4,5-dihydro-1H-[1,3,5]triazino[1,2-a]quinazolin-11-ium-6-one IUPAC Name: (1S)-3-amino-8,9-dimethoxy-1-phenyl-4,5-dihydro-1H-[1,3,5]triazino[1,2-a]quinazolin-11-ium-6-one Traditional Name: (1S)-3-amino-8,9-dimethoxy-1-phenyl-4,5-dihydro-1H-[1,3,5]triazino[1,2-a]quinazolin-11-ium-6-one Formula: C18H18N5O3+ MolecularWeight: 352.36722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)NC3=[N+]2C(N=C(N3)N)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)NC3=[N+]2[C@H](N=C(N3)N)C4=CC=CC=C4)OC

InChI

InChI=1S/C18H17N5O3/c1-25-13-8-11-12(9-14(13)26-2)23-15(10-6-4-3-5-7-10)20-17(19)22-18(23)21-16(11)24/h3-9,15H,1-2H3,(H3,19,20,21,22,24)/p+1/t15-/m0/s1