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

Systemtic Name: 2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylamino)-4-methyl-pentanoic acid Openeye Name: 2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylamino)-4-methyl-pentanoic acid CAS Name: 2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylamino)-4-methylpentanoic acid IUPAC Name: 2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylamino)-4-methylpentanoic acid Traditional Name: 2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylamino)-4-methyl-valeric acid Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O2/c1-11(2)9-15(18(23)24)22-17-13-7-8-19-14-6-4-3-5-12(14)16(13)20-10-21-17/h3-6,10-11,15,19H,7-9H2,1-2H3,(H,23,24)(H,20,21,22)