(4S)-4-(furan-2-yl)-8-methyl-2-[(phenylmethyl)amino]-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one

Systemtic Name: (4S)-4-(furan-2-yl)-8-methyl-2-[(phenylmethyl)amino]-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one Openeye Name: (4S)-2-(benzylamino)-4-(2-furyl)-8-methyl-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one CAS Name: (4S)-4-(2-furanyl)-8-methyl-2-[(phenylmethyl)amino]-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one IUPAC Name: (4S)-2-(benzylamino)-4-(furan-2-yl)-8-methyl-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one Traditional Name: (4S)-2-(benzylamino)-4-(2-furyl)-8-methyl-4,9-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-5-ium-6-one Formula: C18H18N5O2+ MolecularWeight: 336.36782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)[N+]2=C(N1)NC(=NC2C3=CC=CO3)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)[N+]2=C(N1)NC(=N[C@@H]2C3=CC=CO3)NCC4=CC=CC=C4

InChI

InChI=1S/C18H17N5O2/c1-12-10-15(24)23-16(14-8-5-9-25-14)21-17(22-18(23)20-12)19-11-13-6-3-2-4-7-13/h2-10,16H,11H2,1H3,(H2,19,20,21,22,24)/p+1/t16-/m0/s1