PDB CCD ID: | ZVM |
Number of entries in BioLiP: | 1 |
Chemical formula: | C22 H21 N3 O2 |
InChI: | InChI=1S/C22H21N3O2/c1-24-17-13-6-5-12-16(17)19(26)18-21(24)23-20(14-8-7-9-14)25(22(18)27)15-10-3-2-4-11-15/h2-6,10-14,18,20H,7-9H2,1H3/t18?,20-/m0/s1 |
InChIKey: | HIWASGKNWCATJA-IJHRGXPZSA-N |
SMILES: | Software | SMILES |
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ACDLabs 12.01 | O=C1C2C(=O)c3ccccc3N(C)C2=NC(C2CCC2)N1c1ccccc1 | OpenEye OEToolkits 2.0.7 | CN1c2ccccc2C(=O)C3C1=NC(N(C3=O)c4ccccc4)C5CCC5 | CACTVS 3.385 | CN1c2ccccc2C(=O)[CH]3C(=O)N([CH](N=C13)C4CCC4)c5ccccc5 | CACTVS 3.385 | CN1c2ccccc2C(=O)[C@H]3C(=O)N([C@H](N=C13)C4CCC4)c5ccccc5 |
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Name: | (2S,4aS)-2-cyclobutyl-10-methyl-3-phenyl-2,10-dihydropyrimido[4,5-b]quinoline-4,5(3H,4aH)-dione |