2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylamino)-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylamino)-4-methylsulfanyl-butanoic acid Openeye Name: 2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylamino)-4-methylsulfanyl-butanoic acid CAS Name: 2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylamino)-4-(methylthio)butanoic acid IUPAC Name: 2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylamino)-4-methylsulfanylbutanoic acid Traditional Name: 2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylamino)-4-(methylthio)butyric acid Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC1=NC=NC2=C1CCNC3=CC=CC=C32

Isomeric SMILES

CSCCC(C(=O)O)NC1=NC=NC2=C1CCNC3=CC=CC=C32

InChI

InChI=1S/C17H20N4O2S/c1-24-9-7-14(17(22)23)21-16-12-6-8-18-13-5-3-2-4-11(13)15(12)19-10-20-16/h2-5,10,14,18H,6-9H2,1H3,(H,22,23)(H,19,20,21)