(4S)-4-phenyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-4,5-dihydro-1H-pyrimidin-3-ium-6-one

Systemtic Name: (4S)-4-phenyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-4,5-dihydro-1H-pyrimidin-3-ium-6-one Openeye Name: (4S)-4-phenyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-4,5-dihydro-1H-pyrimidin-3-ium-6-one CAS Name: (4S)-4-phenyl-2-[(4,6,8-trimethyl-2-quinazolinyl)amino]-4,5-dihydro-1H-pyrimidin-3-ium-6-one IUPAC Name: (4S)-4-phenyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-4,5-dihydro-1H-pyrimidin-3-ium-6-one Traditional Name: (4S)-4-phenyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-4,5-dihydro-1H-pyrimidin-3-ium-6-one Formula: C21H22N5O+ MolecularWeight: 360.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=NC(=N2)NC3=[NH+]C(CC(=O)N3)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=NC(=N2)NC3=[NH+][C@@H](CC(=O)N3)C4=CC=CC=C4)C)C

InChI

InChI=1S/C21H21N5O/c1-12-9-13(2)19-16(10-12)14(3)22-20(25-19)26-21-23-17(11-18(27)24-21)15-7-5-4-6-8-15/h4-10,17H,11H2,1-3H3,(H2,22,23,24,25,26,27)/p+1/t17-/m0/s1