3-[[[(2S)-butan-2-yl]amino]methylidene]-9-methyl-2-phenylazanyl-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 3-[[[(2S)-butan-2-yl]amino]methylidene]-9-methyl-2-phenylazanyl-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-anilino-9-methyl-3-[[[(1S)-1-methylpropyl]amino]methylene]pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-anilino-3-[[[(2S)-butan-2-yl]amino]methylidene]-9-methyl-4-pyrido[1,2-a]pyrimidin-5-iumone IUPAC Name: 2-anilino-3-[[[(2S)-butan-2-yl]amino]methylidene]-9-methylpyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-anilino-9-methyl-3-[[[(1S)-1-methylpropyl]amino]methylene]pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C20H23N4O+ MolecularWeight: 335.42282

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC=C1C(=NC2=C(C=CC=[N+]2C1=O)C)NC3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)NC=C1C(=NC2=C(C=CC=[N+]2C1=O)C)NC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O/c1-4-15(3)21-13-17-18(22-16-10-6-5-7-11-16)23-19-14(2)9-8-12-24(19)20(17)25/h5-13,15H,4H2,1-3H3,(H,21,22,25)/p+1/t15-/m0/s1