2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylamino)-3-methyl-butanoic acid

Systemtic Name: 2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylamino)-3-methyl-butanoic acid Openeye Name: 2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylamino)-3-methyl-butanoic acid CAS Name: 2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylamino)-3-methylbutanoic acid IUPAC Name: 2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylamino)-3-methylbutanoic acid Traditional Name: 2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylamino)-3-methyl-butyric acid Formula: C17H20N4O2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O2/c1-10(2)14(17(22)23)21-16-12-7-8-18-13-6-4-3-5-11(13)15(12)19-9-20-16/h3-6,9-10,14,18H,7-8H2,1-2H3,(H,22,23)(H,19,20,21)