(5S)-4-azanyl-N-(4-bromophenyl)-2-morpholin-4-yl-7-oxidanylidene-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-1-ium-5-carboxamide

Systemtic Name: (5S)-4-azanyl-N-(4-bromophenyl)-2-morpholin-4-yl-7-oxidanylidene-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-1-ium-5-carboxamide Openeye Name: (5S)-4-amino-N-(4-bromophenyl)-2-morpholino-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-1-ium-5-carboxamide CAS Name: (5S)-4-amino-N-(4-bromophenyl)-2-(4-morpholinyl)-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-1-ium-5-carboxamide IUPAC Name: (5S)-4-amino-N-(4-bromophenyl)-2-morpholin-4-yl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-1-ium-5-carboxamide Traditional Name: (5S)-4-amino-N-(4-bromophenyl)-7-keto-2-morpholino-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-1-ium-5-carboxamide Formula: C18H20BrN6O3+ MolecularWeight: 448.2938

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=C3C(CC(=O)NC3=[NH+]2)C(=O)NC4=CC=C(C=C4)Br)N

Isomeric SMILES

C1COCCN1C2=NC(=C3[C@H](CC(=O)NC3=[NH+]2)C(=O)NC4=CC=C(C=C4)Br)N

InChI

InChI=1S/C18H19BrN6O3/c19-10-1-3-11(4-2-10)21-17(27)12-9-13(26)22-16-14(12)15(20)23-18(24-16)25-5-7-28-8-6-25/h1-4,12H,5-9H2,(H,21,27)(H3,20,22,23,24,26)/p+1/t12-/m0/s1